The material structure described by Na3CaLaP2SO12 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(12), one O(7), one O(8), and one O(9) atom. Ca(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form distorted CaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. La(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form LaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-43°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-44°. S(1) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ca(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ca(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(2), one Ca(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one La(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one La(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(3), one Ca(1), and one P(1) atom to form distorted ONa2CaP trigonal pyramids that share corners with two equivalent O(12)Na3LaP trigonal bipyramids and  an edgeedge with one O(8)Na2CaP trigonal pyramid. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Ca(1), and one P(2) atom to form distorted ONa2CaP trigonal pyramids that share  a cornercorner with one O(12)Na3LaP trigonal bipyramid,  an edgeedge with one O(12)Na3LaP trigonal bipyramid, and  an edgeedge with one O(7)Na2CaP trigonal pyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ca(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the twelfth O site, O(12) is bonded to one Na(1), one Na(2), one Na(3), one La(1), and one P(2) atom to form a mixture of distorted corner and edge-sharing ONa3LaP trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3CaLaP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.501
_cell_length_b   9.501
_cell_length_c   9.579
_cell_angle_alpha   61.413
_cell_angle_beta   61.413
_cell_angle_gamma   60.171
_symmetry_Int_Tables_number   1
_cell_volume   624.914
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.668  0.646  0.044  1.0
  Ca  Ca1  1  0.146  0.168  0.544  1.0
  La  La2  1  0.330  0.344  0.957  1.0
  La  La3  1  0.844  0.830  0.457  1.0
  Na  Na4  1  0.402  0.763  0.734  1.0
  Na  Na5  1  0.755  0.131  0.724  1.0
  Na  Na6  1  0.631  0.255  0.224  1.0
  Na  Na7  1  0.263  0.902  0.234  1.0
  Na  Na8  1  0.545  0.501  0.471  1.0
  Na  Na9  1  0.001  0.045  0.971  1.0
  O  O10  1  0.484  0.891  0.913  1.0
  O  O11  1  0.912  0.720  0.884  1.0
  O  O12  1  0.696  0.455  0.936  1.0
  O  O13  1  0.955  0.196  0.436  1.0
  O  O14  1  0.220  0.412  0.384  1.0
  O  O15  1  0.391  0.984  0.413  1.0
  O  O16  1  0.506  0.101  0.097  1.0
  O  O17  1  0.086  0.281  0.119  1.0
  O  O18  1  0.297  0.542  0.082  1.0
  O  O19  1  0.042  0.797  0.582  1.0
  O  O20  1  0.781  0.586  0.619  1.0
  O  O21  1  0.601  0.006  0.597  1.0
  O  O22  1  0.556  0.781  0.245  1.0
  O  O23  1  0.759  0.388  0.256  1.0
  O  O24  1  0.419  0.561  0.245  1.0
  O  O25  1  0.061  0.919  0.745  1.0
  O  O26  1  0.888  0.259  0.756  1.0
  O  O27  1  0.281  0.056  0.745  1.0
  O  O28  1  0.431  0.212  0.758  1.0
  O  O29  1  0.225  0.625  0.756  1.0
  O  O30  1  0.580  0.428  0.759  1.0
  O  O31  1  0.928  0.080  0.259  1.0
  O  O32  1  0.125  0.725  0.256  1.0
  O  O33  1  0.712  0.931  0.258  1.0
  P  P34  1  0.445  0.042  0.756  1.0
  P  P35  1  0.739  0.430  0.771  1.0
  P  P36  1  0.930  0.239  0.271  1.0
  P  P37  1  0.542  0.945  0.256  1.0
  S  S38  1  0.058  0.765  0.743  1.0
  S  S39  1  0.265  0.558  0.243  1.0
[/CIF]
.
The material structure described by Na3CaLaP2SO12 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(12), one O(7), one O(8), and one O(9) atom. Ca(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form distorted CaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. La(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form LaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-43°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-44°. S(1) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ca(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ca(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(2), one Ca(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one La(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one La(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(3), one Ca(1), and one P(1) atom to form distorted ONa2CaP trigonal pyramids that share corners with two equivalent O(12)Na3LaP trigonal bipyramids and  an edgeedge with one O(8)Na2CaP trigonal pyramid. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Ca(1), and one P(2) atom to form distorted ONa2CaP trigonal pyramids that share  a cornercorner with one O(12)Na3LaP trigonal bipyramid,  an edgeedge with one O(12)Na3LaP trigonal bipyramid, and  an edgeedge with one O(7)Na2CaP trigonal pyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ca(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the twelfth O site, O(12) is bonded to one Na(1), one Na(2), one Na(3), one La(1), and one P(2) atom to form a mixture of distorted corner and edge-sharing ONa3LaP trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3CaLaP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.501
_cell_length_b   9.501
_cell_length_c   9.579
_cell_angle_alpha   61.413
_cell_angle_beta   61.413
_cell_angle_gamma   60.171
_symmetry_Int_Tables_number   1
_cell_volume   624.914
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.668  0.646  0.044  1.0
  Ca  Ca1  1  0.146  0.168  0.544  1.0
  La  La2  1  0.330  0.344  0.957  1.0
  La  La3  1  0.844  0.830  0.457  1.0
  Na  Na4  1  0.402  0.763  0.734  1.0
  Na  Na5  1  0.755  0.131  0.724  1.0
  Na  Na6  1  0.631  0.255  0.224  1.0
  Na  Na7  1  0.263  0.902  0.234  1.0
  Na  Na8  1  0.545  0.501  0.471  1.0
  Na  Na9  1  0.001  0.045  0.971  1.0
  O  O10  1  0.484  0.891  0.913  1.0
  O  O11  1  0.912  0.720  0.884  1.0
  O  O12  1  0.696  0.455  0.936  1.0
  O  O13  1  0.955  0.196  0.436  1.0
  O  O14  1  0.220  0.412  0.384  1.0
  O  O15  1  0.391  0.984  0.413  1.0
  O  O16  1  0.506  0.101  0.097  1.0
  O  O17  1  0.086  0.281  0.119  1.0
  O  O18  1  0.297  0.542  0.082  1.0
  O  O19  1  0.042  0.797  0.582  1.0
  O  O20  1  0.781  0.586  0.619  1.0
  O  O21  1  0.601  0.006  0.597  1.0
  O  O22  1  0.556  0.781  0.245  1.0
  O  O23  1  0.759  0.388  0.256  1.0
  O  O24  1  0.419  0.561  0.245  1.0
  O  O25  1  0.061  0.919  0.745  1.0
  O  O26  1  0.888  0.259  0.756  1.0
  O  O27  1  0.281  0.056  0.745  1.0
  O  O28  1  0.431  0.212  0.758  1.0
  O  O29  1  0.225  0.625  0.756  1.0
  O  O30  1  0.580  0.428  0.759  1.0
  O  O31  1  0.928  0.080  0.259  1.0
  O  O32  1  0.125  0.725  0.256  1.0
  O  O33  1  0.712  0.931  0.258  1.0
  P  P34  1  0.445  0.042  0.756  1.0
  P  P35  1  0.739  0.430  0.771  1.0
  P  P36  1  0.930  0.239  0.271  1.0
  P  P37  1  0.542  0.945  0.256  1.0
  S  S38  1  0.058  0.765  0.743  1.0
  S  S39  1  0.265  0.558  0.243  1.0
[/CIF]
.