The material described by NaLaF4 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted octahedral geometry to one F(10), one F(11), one F(2), one F(4), one F(5), and one F(7) atom. In the second Na site, Na(2) is bonded in a distorted octahedral geometry to one F(1), one F(12), one F(3), one F(6), one F(8), and one F(9) atom. In the third Na site, Na(3) is bonded in a 9-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(9) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one F(10), one F(11), one F(12), one F(2), one F(3), one F(6), one F(7), one F(8), and one F(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(11), one F(12), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(12), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(8) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), one Na(3), one La(2), and one La(3) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(4)Na2La2 tetrahedra,  a cornercorner with one F(6)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra,  a cornercorner with one F(12)NaLa3 tetrahedra,  a cornercorner with one F(8)NaLa3 tetrahedra, corners with two equivalent F(11)Na2La2 tetrahedra, corners with two equivalent F(2)Na2La2 tetrahedra, corners with two equivalent F(7)Na2La2 tetrahedra, corners with three equivalent F(3)Na2La2 tetrahedra, corners with three equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra, and  an edgeedge with one F(8)NaLa3 tetrahedra. In the second F site, F(2) is bonded to one Na(1), one Na(3), one La(1), and one La(3) atom to form distorted FNa2La2 tetrahedra that share  a cornercorner with one F(11)Na2La2 tetrahedra,  a cornercorner with one F(3)Na2La2 tetrahedra,  a cornercorner with one F(7)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(1)Na2La2 tetrahedra, corners with two equivalent F(12)NaLa3 tetrahedra, corners with two equivalent F(8)NaLa3 tetrahedra, corners with three equivalent F(4)Na2La2 tetrahedra, corners with three equivalent F(6)Na2La2 tetrahedra,  a cornercorner with one F(5)Na2La2 trigonal pyramid,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the third F site, F(3) is bonded to one Na(2), one Na(3), one La(1), and one La(3) atom to form distorted FNa2La2 tetrahedra that share  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra,  a cornercorner with one F(12)NaLa3 tetrahedra,  a cornercorner with one F(8)NaLa3 tetrahedra, corners with two equivalent F(4)Na2La2 tetrahedra, corners with two equivalent F(7)Na2La2 tetrahedra, corners with two equivalent F(10)NaLa3 tetrahedra, corners with three equivalent F(1)Na2La2 tetrahedra, corners with four equivalent F(6)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra,  an edgeedge with one F(8)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), one Na(3), one La(2), and one La(3) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(11)Na2La2 tetrahedra,  a cornercorner with one F(7)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(3)Na2La2 tetrahedra, corners with two equivalent F(9)Na2La2 tetrahedra, corners with two equivalent F(8)NaLa3 tetrahedra, corners with three equivalent F(2)Na2La2 tetrahedra, corners with four equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra, and  an edgeedge with one F(12)NaLa3 tetrahedra. In the fifth F site, F(5) is bonded to one Na(1), one Na(3), one La(2), and one La(3) atom to form distorted FNa2La2 trigonal pyramids that share  a cornercorner with one F(11)Na2La2 tetrahedra,  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(7)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(6)Na2La2 tetrahedra, corners with two equivalent F(9)Na2La2 tetrahedra, corners with two equivalent F(12)NaLa3 tetrahedra, corners with three equivalent F(1)Na2La2 tetrahedra, corners with four equivalent F(4)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra, and  an edgeedge with one F(8)NaLa3 tetrahedra. In the sixth F site, F(6) is bonded to one Na(2), one Na(3), one La(1), and one La(3) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra,  a cornercorner with one F(12)NaLa3 tetrahedra,  a cornercorner with one F(8)NaLa3 tetrahedra, corners with two equivalent F(11)Na2La2 tetrahedra, corners with two equivalent F(10)NaLa3 tetrahedra, corners with three equivalent F(2)Na2La2 tetrahedra, corners with four equivalent F(3)Na2La2 tetrahedra, corners with two equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra, and  an edgeedge with one F(8)NaLa3 tetrahedra. In the seventh F site, F(7) is bonded to one Na(1), one Na(3), one La(1), and one La(2) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(4)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(1)Na2La2 tetrahedra, corners with two equivalent F(3)Na2La2 tetrahedra, corners with two equivalent F(8)NaLa3 tetrahedra, corners with three equivalent F(9)Na2La2 tetrahedra, corners with four equivalent F(11)Na2La2 tetrahedra,  a cornercorner with one F(5)Na2La2 trigonal pyramid,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the eighth F site, F(8) is bonded to one Na(2), one La(1), one La(2), and one La(3) atom to form FNaLa3 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(3)Na2La2 tetrahedra,  a cornercorner with one F(6)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra, corners with two equivalent F(2)Na2La2 tetrahedra, corners with two equivalent F(4)Na2La2 tetrahedra, corners with two equivalent F(7)Na2La2 tetrahedra, corners with three equivalent F(10)NaLa3 tetrahedra, corners with four equivalent F(12)NaLa3 tetrahedra,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the ninth F site, F(9) is bonded to one Na(2), one Na(3), one La(1), and one La(2) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(11)Na2La2 tetrahedra,  a cornercorner with one F(3)Na2La2 tetrahedra,  a cornercorner with one F(6)Na2La2 tetrahedra,  a cornercorner with one F(8)NaLa3 tetrahedra, corners with two equivalent F(4)Na2La2 tetrahedra, corners with two equivalent F(10)NaLa3 tetrahedra, corners with three equivalent F(7)Na2La2 tetrahedra, corners with three equivalent F(12)NaLa3 tetrahedra, corners with two equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra, and  an edgeedge with one F(8)NaLa3 tetrahedra. In the tenth F site, F(10) is bonded to one Na(1), one La(1), one La(2), and one La(3) atom to form FNaLa3 tetrahedra that share  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(4)Na2La2 tetrahedra,  a cornercorner with one F(7)Na2La2 tetrahedra,  a cornercorner with one F(12)NaLa3 tetrahedra, corners with two equivalent F(3)Na2La2 tetrahedra, corners with two equivalent F(6)Na2La2 tetrahedra, corners with two equivalent F(9)Na2La2 tetrahedra, corners with three equivalent F(11)Na2La2 tetrahedra, corners with three equivalent F(8)NaLa3 tetrahedra,  a cornercorner with one F(5)Na2La2 trigonal pyramid,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the eleventh F site, F(11) is bonded to one Na(1), one Na(3), one La(1), and one La(2) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(4)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra, corners with two equivalent F(1)Na2La2 tetrahedra, corners with two equivalent F(6)Na2La2 tetrahedra, corners with two equivalent F(12)NaLa3 tetrahedra, corners with three equivalent F(10)NaLa3 tetrahedra, corners with four equivalent F(7)Na2La2 tetrahedra,  a cornercorner with one F(5)Na2La2 trigonal pyramid,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(8)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the twelfth F site, F(12) is bonded to one Na(2), one La(1), one La(2), and one La(3) atom to form FNaLa3 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(3)Na2La2 tetrahedra,  a cornercorner with one F(6)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(11)Na2La2 tetrahedra, corners with two equivalent F(2)Na2La2 tetrahedra, corners with three equivalent F(9)Na2La2 tetrahedra, corners with four equivalent F(8)NaLa3 tetrahedra, corners with two equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra, and  an edgeedge with one F(10)NaLa3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.128
_cell_length_b   7.191
_cell_length_c   7.209
_cell_angle_alpha   63.988
_cell_angle_beta   64.908
_cell_angle_gamma   64.979
_symmetry_Int_Tables_number   1
_cell_volume   247.354
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.667  0.488  0.159  1.0
  Na  Na1  1  0.663  0.014  0.674  1.0
  Na  Na2  1  0.330  0.444  0.893  1.0
  La  La3  1  0.004  0.006  0.990  1.0
  La  La4  1  0.996  0.505  0.499  1.0
  La  La5  1  0.337  0.930  0.398  1.0
  F  F6  1  0.586  0.720  0.657  1.0
  F  F7  1  0.594  0.179  0.191  1.0
  F  F8  1  0.377  0.013  0.019  1.0
  F  F9  1  0.373  0.548  0.491  1.0
  F  F10  1  0.029  0.285  0.309  1.0
  F  F11  1  0.041  0.827  0.759  1.0
  F  F12  1  0.261  0.629  0.122  1.0
  F  F13  1  0.280  0.138  0.617  1.0
  F  F14  1  0.748  0.252  0.742  1.0
  F  F15  1  0.757  0.738  0.223  1.0
  F  F16  1  0.985  0.389  0.879  1.0
  F  F17  1  0.970  0.895  0.378  1.0
[/CIF]
.
The material described by NaLaF4 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted octahedral geometry to one F(10), one F(11), one F(2), one F(4), one F(5), and one F(7) atom. In the second Na site, Na(2) is bonded in a distorted octahedral geometry to one F(1), one F(12), one F(3), one F(6), one F(8), and one F(9) atom. In the third Na site, Na(3) is bonded in a 9-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(9) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one F(10), one F(11), one F(12), one F(2), one F(3), one F(6), one F(7), one F(8), and one F(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(11), one F(12), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(12), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(8) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), one Na(3), one La(2), and one La(3) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(4)Na2La2 tetrahedra,  a cornercorner with one F(6)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra,  a cornercorner with one F(12)NaLa3 tetrahedra,  a cornercorner with one F(8)NaLa3 tetrahedra, corners with two equivalent F(11)Na2La2 tetrahedra, corners with two equivalent F(2)Na2La2 tetrahedra, corners with two equivalent F(7)Na2La2 tetrahedra, corners with three equivalent F(3)Na2La2 tetrahedra, corners with three equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra, and  an edgeedge with one F(8)NaLa3 tetrahedra. In the second F site, F(2) is bonded to one Na(1), one Na(3), one La(1), and one La(3) atom to form distorted FNa2La2 tetrahedra that share  a cornercorner with one F(11)Na2La2 tetrahedra,  a cornercorner with one F(3)Na2La2 tetrahedra,  a cornercorner with one F(7)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(1)Na2La2 tetrahedra, corners with two equivalent F(12)NaLa3 tetrahedra, corners with two equivalent F(8)NaLa3 tetrahedra, corners with three equivalent F(4)Na2La2 tetrahedra, corners with three equivalent F(6)Na2La2 tetrahedra,  a cornercorner with one F(5)Na2La2 trigonal pyramid,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the third F site, F(3) is bonded to one Na(2), one Na(3), one La(1), and one La(3) atom to form distorted FNa2La2 tetrahedra that share  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra,  a cornercorner with one F(12)NaLa3 tetrahedra,  a cornercorner with one F(8)NaLa3 tetrahedra, corners with two equivalent F(4)Na2La2 tetrahedra, corners with two equivalent F(7)Na2La2 tetrahedra, corners with two equivalent F(10)NaLa3 tetrahedra, corners with three equivalent F(1)Na2La2 tetrahedra, corners with four equivalent F(6)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra,  an edgeedge with one F(8)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), one Na(3), one La(2), and one La(3) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(11)Na2La2 tetrahedra,  a cornercorner with one F(7)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(3)Na2La2 tetrahedra, corners with two equivalent F(9)Na2La2 tetrahedra, corners with two equivalent F(8)NaLa3 tetrahedra, corners with three equivalent F(2)Na2La2 tetrahedra, corners with four equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra, and  an edgeedge with one F(12)NaLa3 tetrahedra. In the fifth F site, F(5) is bonded to one Na(1), one Na(3), one La(2), and one La(3) atom to form distorted FNa2La2 trigonal pyramids that share  a cornercorner with one F(11)Na2La2 tetrahedra,  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(7)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(6)Na2La2 tetrahedra, corners with two equivalent F(9)Na2La2 tetrahedra, corners with two equivalent F(12)NaLa3 tetrahedra, corners with three equivalent F(1)Na2La2 tetrahedra, corners with four equivalent F(4)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra, and  an edgeedge with one F(8)NaLa3 tetrahedra. In the sixth F site, F(6) is bonded to one Na(2), one Na(3), one La(1), and one La(3) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra,  a cornercorner with one F(12)NaLa3 tetrahedra,  a cornercorner with one F(8)NaLa3 tetrahedra, corners with two equivalent F(11)Na2La2 tetrahedra, corners with two equivalent F(10)NaLa3 tetrahedra, corners with three equivalent F(2)Na2La2 tetrahedra, corners with four equivalent F(3)Na2La2 tetrahedra, corners with two equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra, and  an edgeedge with one F(8)NaLa3 tetrahedra. In the seventh F site, F(7) is bonded to one Na(1), one Na(3), one La(1), and one La(2) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(4)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(1)Na2La2 tetrahedra, corners with two equivalent F(3)Na2La2 tetrahedra, corners with two equivalent F(8)NaLa3 tetrahedra, corners with three equivalent F(9)Na2La2 tetrahedra, corners with four equivalent F(11)Na2La2 tetrahedra,  a cornercorner with one F(5)Na2La2 trigonal pyramid,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(10)NaLa3 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the eighth F site, F(8) is bonded to one Na(2), one La(1), one La(2), and one La(3) atom to form FNaLa3 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(3)Na2La2 tetrahedra,  a cornercorner with one F(6)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra, corners with two equivalent F(2)Na2La2 tetrahedra, corners with two equivalent F(4)Na2La2 tetrahedra, corners with two equivalent F(7)Na2La2 tetrahedra, corners with three equivalent F(10)NaLa3 tetrahedra, corners with four equivalent F(12)NaLa3 tetrahedra,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the ninth F site, F(9) is bonded to one Na(2), one Na(3), one La(1), and one La(2) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(11)Na2La2 tetrahedra,  a cornercorner with one F(3)Na2La2 tetrahedra,  a cornercorner with one F(6)Na2La2 tetrahedra,  a cornercorner with one F(8)NaLa3 tetrahedra, corners with two equivalent F(4)Na2La2 tetrahedra, corners with two equivalent F(10)NaLa3 tetrahedra, corners with three equivalent F(7)Na2La2 tetrahedra, corners with three equivalent F(12)NaLa3 tetrahedra, corners with two equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(11)Na2La2 tetrahedra,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra, and  an edgeedge with one F(8)NaLa3 tetrahedra. In the tenth F site, F(10) is bonded to one Na(1), one La(1), one La(2), and one La(3) atom to form FNaLa3 tetrahedra that share  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(4)Na2La2 tetrahedra,  a cornercorner with one F(7)Na2La2 tetrahedra,  a cornercorner with one F(12)NaLa3 tetrahedra, corners with two equivalent F(3)Na2La2 tetrahedra, corners with two equivalent F(6)Na2La2 tetrahedra, corners with two equivalent F(9)Na2La2 tetrahedra, corners with three equivalent F(11)Na2La2 tetrahedra, corners with three equivalent F(8)NaLa3 tetrahedra,  a cornercorner with one F(5)Na2La2 trigonal pyramid,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra,  an edgeedge with one F(12)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the eleventh F site, F(11) is bonded to one Na(1), one Na(3), one La(1), and one La(2) atom to form FNa2La2 tetrahedra that share  a cornercorner with one F(2)Na2La2 tetrahedra,  a cornercorner with one F(4)Na2La2 tetrahedra,  a cornercorner with one F(9)Na2La2 tetrahedra, corners with two equivalent F(1)Na2La2 tetrahedra, corners with two equivalent F(6)Na2La2 tetrahedra, corners with two equivalent F(12)NaLa3 tetrahedra, corners with three equivalent F(10)NaLa3 tetrahedra, corners with four equivalent F(7)Na2La2 tetrahedra,  a cornercorner with one F(5)Na2La2 trigonal pyramid,  an edgeedge with one F(2)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(9)Na2La2 tetrahedra,  an edgeedge with one F(8)NaLa3 tetrahedra, and  an edgeedge with one F(5)Na2La2 trigonal pyramid. In the twelfth F site, F(12) is bonded to one Na(2), one La(1), one La(2), and one La(3) atom to form FNaLa3 tetrahedra that share  a cornercorner with one F(1)Na2La2 tetrahedra,  a cornercorner with one F(3)Na2La2 tetrahedra,  a cornercorner with one F(6)Na2La2 tetrahedra,  a cornercorner with one F(10)NaLa3 tetrahedra, corners with two equivalent F(11)Na2La2 tetrahedra, corners with two equivalent F(2)Na2La2 tetrahedra, corners with three equivalent F(9)Na2La2 tetrahedra, corners with four equivalent F(8)NaLa3 tetrahedra, corners with two equivalent F(5)Na2La2 trigonal pyramids,  an edgeedge with one F(1)Na2La2 tetrahedra,  an edgeedge with one F(3)Na2La2 tetrahedra,  an edgeedge with one F(4)Na2La2 tetrahedra,  an edgeedge with one F(6)Na2La2 tetrahedra,  an edgeedge with one F(7)Na2La2 tetrahedra, and  an edgeedge with one F(10)NaLa3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.128
_cell_length_b   7.191
_cell_length_c   7.209
_cell_angle_alpha   63.988
_cell_angle_beta   64.908
_cell_angle_gamma   64.979
_symmetry_Int_Tables_number   1
_cell_volume   247.354
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.667  0.488  0.159  1.0
  Na  Na1  1  0.663  0.014  0.674  1.0
  Na  Na2  1  0.330  0.444  0.893  1.0
  La  La3  1  0.004  0.006  0.990  1.0
  La  La4  1  0.996  0.505  0.499  1.0
  La  La5  1  0.337  0.930  0.398  1.0
  F  F6  1  0.586  0.720  0.657  1.0
  F  F7  1  0.594  0.179  0.191  1.0
  F  F8  1  0.377  0.013  0.019  1.0
  F  F9  1  0.373  0.548  0.491  1.0
  F  F10  1  0.029  0.285  0.309  1.0
  F  F11  1  0.041  0.827  0.759  1.0
  F  F12  1  0.261  0.629  0.122  1.0
  F  F13  1  0.280  0.138  0.617  1.0
  F  F14  1  0.748  0.252  0.742  1.0
  F  F15  1  0.757  0.738  0.223  1.0
  F  F16  1  0.985  0.389  0.879  1.0
  F  F17  1  0.970  0.895  0.378  1.0
[/CIF]
.