The crystal structure described by MgTl4(NiO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(3), one O(7), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O5 square pyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Ni(4)O5 trigonal bipyramid,  a cornercorner with one Tl(2)O5 trigonal bipyramid,  an edgeedge with one Ni(1)O5 square pyramid,  an edgeedge with one Ni(4)O5 trigonal bipyramid, and  an edgeedge with one Tl(2)O5 trigonal bipyramid. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(2), one O(5), one O(6), and one O(7) atom to form NiO5 square pyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Ni(2)O5 trigonal bipyramid,  a cornercorner with one Tl(2)O5 trigonal bipyramid, corners with three equivalent Ni(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(1), one O(12), one O(4), one O(6), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O5 square pyramid, corners with three equivalent Ni(3)O5 trigonal bipyramids, and  an edgeedge with one Tl(2)O5 trigonal bipyramid. In the third Ni site, Ni(3) is bonded to one O(1), one O(11), one O(12), one O(3), and one O(4) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Ni(4)O5 trigonal bipyramid, corners with two equivalent Tl(2)O5 trigonal bipyramids, and corners with three equivalent Ni(2)O5 trigonal bipyramids. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(11), one O(2), one O(5), and one O(9) atom to form distorted NiO5 trigonal bipyramids that share corners with three equivalent Ni(1)O5 square pyramids,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Tl(2)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(6) atom. In the second Tl site, Tl(2) is bonded to one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form TlO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O5 square pyramid,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Ni(4)O5 trigonal bipyramid, corners with two equivalent Ni(3)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the third Tl site, Tl(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), one O(8), and one O(9) atom. In the fourth Tl site, Tl(4) is bonded in a 5-coordinate geometry to one O(11), one O(4), one O(5), one O(6), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), one Ni(3), one Tl(1), and one Tl(3) atom to form OTl2Ni2 tetrahedra that share  a cornercorner with one O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(10)MgTlNi2 tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra, corners with two equivalent O(12)Tl2Ni2 tetrahedra, corners with two equivalent O(3)MgTl2Ni trigonal pyramids, corners with two equivalent O(11)Tl2Ni2 trigonal pyramids, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(12)Tl2Ni2 tetrahedra, and  an edgeedge with one O(6)Tl2Ni2 trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(1), and one Ni(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Ni(3), one Tl(2), and one Tl(3) atom to form distorted OMgTl2Ni trigonal pyramids that share  a cornercorner with one O(10)MgTlNi2 tetrahedra, corners with two equivalent O(1)Tl2Ni2 tetrahedra, corners with three equivalent O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(11)Tl2Ni2 trigonal pyramid, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids, and  an edgeedge with one O(12)Tl2Ni2 tetrahedra. In the fourth O site, O(4) is bonded to one Ni(2), one Ni(3), one Tl(2), and one Tl(4) atom to form distorted OTl2Ni2 trigonal pyramids that share  a cornercorner with one O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra, corners with two equivalent O(1)Tl2Ni2 tetrahedra, corners with two equivalent O(12)Tl2Ni2 tetrahedra, corners with two equivalent O(3)MgTl2Ni trigonal pyramids, corners with two equivalent O(11)Tl2Ni2 trigonal pyramids, and corners with two equivalent O(6)Tl2Ni2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Ni(1), one Ni(4), one Tl(1), and one Tl(4) atom to form distorted OTl2Ni2 tetrahedra that share  a cornercorner with one O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(10)MgTlNi2 tetrahedra,  a cornercorner with one O(1)Tl2Ni2 tetrahedra,  a cornercorner with one O(12)Tl2Ni2 tetrahedra,  a cornercorner with one O(4)Tl2Ni2 trigonal pyramid, corners with three equivalent O(11)Tl2Ni2 trigonal pyramids, corners with three equivalent O(6)Tl2Ni2 trigonal pyramids, and  an edgeedge with one O(10)MgTlNi2 tetrahedra. In the sixth O site, O(6) is bonded to one Ni(1), one Ni(2), one Tl(1), and one Tl(4) atom to form distorted OTl2Ni2 trigonal pyramids that share corners with two equivalent O(10)MgTlNi2 tetrahedra, corners with two equivalent O(12)Tl2Ni2 tetrahedra, corners with three equivalent O(5)Tl2Ni2 tetrahedra, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(1)Tl2Ni2 tetrahedra, and  an edgeedge with one O(11)Tl2Ni2 trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Tl(2), and one Tl(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one Tl(2), and one Tl(3) atom. In the ninth O site, O(9) is bonded to one Mg(1), one Ni(4), one Tl(2), and one Tl(3) atom to form OMgTl2Ni tetrahedra that share  a cornercorner with one O(1)Tl2Ni2 tetrahedra,  a cornercorner with one O(12)Tl2Ni2 tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra,  a cornercorner with one O(11)Tl2Ni2 trigonal pyramid,  a cornercorner with one O(4)Tl2Ni2 trigonal pyramid, corners with three equivalent O(3)MgTl2Ni trigonal pyramids, and  an edgeedge with one O(10)MgTlNi2 tetrahedra. In the tenth O site, O(10) is bonded to one Mg(1), one Ni(1), one Ni(4), and one Tl(1) atom to form distorted OMgTlNi2 tetrahedra that share  a cornercorner with one O(1)Tl2Ni2 tetrahedra,  a cornercorner with one O(12)Tl2Ni2 tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra,  a cornercorner with one O(3)MgTl2Ni trigonal pyramid, corners with two equivalent O(6)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(9)MgTl2Ni tetrahedra,  an edgeedge with one O(5)Tl2Ni2 tetrahedra, and  an edgeedge with one O(11)Tl2Ni2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ni(3), one Ni(4), one Tl(1), and one Tl(4) atom to form distorted OTl2Ni2 trigonal pyramids that share  a cornercorner with one O(9)MgTl2Ni tetrahedra, corners with two equivalent O(1)Tl2Ni2 tetrahedra, corners with three equivalent O(5)Tl2Ni2 tetrahedra,  a cornercorner with one O(3)MgTl2Ni trigonal pyramid, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(10)MgTlNi2 tetrahedra,  an edgeedge with one O(12)Tl2Ni2 tetrahedra, and  an edgeedge with one O(6)Tl2Ni2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ni(2), one Ni(3), one Tl(1), and one Tl(3) atom to form distorted OTl2Ni2 tetrahedra that share  a cornercorner with one O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(10)MgTlNi2 tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra, corners with two equivalent O(1)Tl2Ni2 tetrahedra, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids, corners with two equivalent O(6)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(1)Tl2Ni2 tetrahedra,  an edgeedge with one O(3)MgTl2Ni trigonal pyramid, and  an edgeedge with one O(11)Tl2Ni2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgTl4(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.728
_cell_length_b   5.590
_cell_length_c   8.814
_cell_angle_alpha   83.865
_cell_angle_beta   101.961
_cell_angle_gamma   97.760
_symmetry_Int_Tables_number   1
_cell_volume   272.645
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.249  0.439  0.874  1.0
  Tl  Tl1  1  0.472  0.501  0.243  1.0
  Tl  Tl2  1  0.004  0.970  0.713  1.0
  Tl  Tl3  1  0.597  0.414  0.660  1.0
  Tl  Tl4  1  0.005  0.034  0.233  1.0
  Ni  Ni5  1  0.438  0.995  0.030  1.0
  Ni  Ni6  1  0.571  0.989  0.452  1.0
  Ni  Ni7  1  0.051  0.527  0.460  1.0
  Ni  Ni8  1  0.890  0.552  0.030  1.0
  O  O9  1  0.717  0.323  0.443  1.0
  O  O10  1  0.580  0.322  0.979  1.0
  O  O11  1  0.204  0.335  0.653  1.0
  O  O12  1  0.907  0.851  0.461  1.0
  O  O13  1  0.719  0.808  0.105  1.0
  O  O14  1  0.403  0.065  0.246  1.0
  O  O15  1  0.135  0.108  0.953  1.0
  O  O16  1  0.613  0.002  0.672  1.0
  O  O17  1  0.917  0.582  0.804  1.0
  O  O18  1  0.263  0.679  0.033  1.0
  O  O19  1  0.042  0.422  0.247  1.0
  O  O20  1  0.400  0.678  0.459  1.0
[/CIF]
.
The crystal structure described by MgTl4(NiO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(3), one O(7), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O5 square pyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Ni(4)O5 trigonal bipyramid,  a cornercorner with one Tl(2)O5 trigonal bipyramid,  an edgeedge with one Ni(1)O5 square pyramid,  an edgeedge with one Ni(4)O5 trigonal bipyramid, and  an edgeedge with one Tl(2)O5 trigonal bipyramid. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(2), one O(5), one O(6), and one O(7) atom to form NiO5 square pyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Ni(2)O5 trigonal bipyramid,  a cornercorner with one Tl(2)O5 trigonal bipyramid, corners with three equivalent Ni(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(1), one O(12), one O(4), one O(6), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O5 square pyramid, corners with three equivalent Ni(3)O5 trigonal bipyramids, and  an edgeedge with one Tl(2)O5 trigonal bipyramid. In the third Ni site, Ni(3) is bonded to one O(1), one O(11), one O(12), one O(3), and one O(4) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Ni(4)O5 trigonal bipyramid, corners with two equivalent Tl(2)O5 trigonal bipyramids, and corners with three equivalent Ni(2)O5 trigonal bipyramids. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(11), one O(2), one O(5), and one O(9) atom to form distorted NiO5 trigonal bipyramids that share corners with three equivalent Ni(1)O5 square pyramids,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Tl(2)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(6) atom. In the second Tl site, Tl(2) is bonded to one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form TlO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O5 square pyramid,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Ni(4)O5 trigonal bipyramid, corners with two equivalent Ni(3)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the third Tl site, Tl(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), one O(8), and one O(9) atom. In the fourth Tl site, Tl(4) is bonded in a 5-coordinate geometry to one O(11), one O(4), one O(5), one O(6), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), one Ni(3), one Tl(1), and one Tl(3) atom to form OTl2Ni2 tetrahedra that share  a cornercorner with one O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(10)MgTlNi2 tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra, corners with two equivalent O(12)Tl2Ni2 tetrahedra, corners with two equivalent O(3)MgTl2Ni trigonal pyramids, corners with two equivalent O(11)Tl2Ni2 trigonal pyramids, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(12)Tl2Ni2 tetrahedra, and  an edgeedge with one O(6)Tl2Ni2 trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(1), and one Ni(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Ni(3), one Tl(2), and one Tl(3) atom to form distorted OMgTl2Ni trigonal pyramids that share  a cornercorner with one O(10)MgTlNi2 tetrahedra, corners with two equivalent O(1)Tl2Ni2 tetrahedra, corners with three equivalent O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(11)Tl2Ni2 trigonal pyramid, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids, and  an edgeedge with one O(12)Tl2Ni2 tetrahedra. In the fourth O site, O(4) is bonded to one Ni(2), one Ni(3), one Tl(2), and one Tl(4) atom to form distorted OTl2Ni2 trigonal pyramids that share  a cornercorner with one O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra, corners with two equivalent O(1)Tl2Ni2 tetrahedra, corners with two equivalent O(12)Tl2Ni2 tetrahedra, corners with two equivalent O(3)MgTl2Ni trigonal pyramids, corners with two equivalent O(11)Tl2Ni2 trigonal pyramids, and corners with two equivalent O(6)Tl2Ni2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Ni(1), one Ni(4), one Tl(1), and one Tl(4) atom to form distorted OTl2Ni2 tetrahedra that share  a cornercorner with one O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(10)MgTlNi2 tetrahedra,  a cornercorner with one O(1)Tl2Ni2 tetrahedra,  a cornercorner with one O(12)Tl2Ni2 tetrahedra,  a cornercorner with one O(4)Tl2Ni2 trigonal pyramid, corners with three equivalent O(11)Tl2Ni2 trigonal pyramids, corners with three equivalent O(6)Tl2Ni2 trigonal pyramids, and  an edgeedge with one O(10)MgTlNi2 tetrahedra. In the sixth O site, O(6) is bonded to one Ni(1), one Ni(2), one Tl(1), and one Tl(4) atom to form distorted OTl2Ni2 trigonal pyramids that share corners with two equivalent O(10)MgTlNi2 tetrahedra, corners with two equivalent O(12)Tl2Ni2 tetrahedra, corners with three equivalent O(5)Tl2Ni2 tetrahedra, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(1)Tl2Ni2 tetrahedra, and  an edgeedge with one O(11)Tl2Ni2 trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Tl(2), and one Tl(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one Tl(2), and one Tl(3) atom. In the ninth O site, O(9) is bonded to one Mg(1), one Ni(4), one Tl(2), and one Tl(3) atom to form OMgTl2Ni tetrahedra that share  a cornercorner with one O(1)Tl2Ni2 tetrahedra,  a cornercorner with one O(12)Tl2Ni2 tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra,  a cornercorner with one O(11)Tl2Ni2 trigonal pyramid,  a cornercorner with one O(4)Tl2Ni2 trigonal pyramid, corners with three equivalent O(3)MgTl2Ni trigonal pyramids, and  an edgeedge with one O(10)MgTlNi2 tetrahedra. In the tenth O site, O(10) is bonded to one Mg(1), one Ni(1), one Ni(4), and one Tl(1) atom to form distorted OMgTlNi2 tetrahedra that share  a cornercorner with one O(1)Tl2Ni2 tetrahedra,  a cornercorner with one O(12)Tl2Ni2 tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra,  a cornercorner with one O(3)MgTl2Ni trigonal pyramid, corners with two equivalent O(6)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(9)MgTl2Ni tetrahedra,  an edgeedge with one O(5)Tl2Ni2 tetrahedra, and  an edgeedge with one O(11)Tl2Ni2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ni(3), one Ni(4), one Tl(1), and one Tl(4) atom to form distorted OTl2Ni2 trigonal pyramids that share  a cornercorner with one O(9)MgTl2Ni tetrahedra, corners with two equivalent O(1)Tl2Ni2 tetrahedra, corners with three equivalent O(5)Tl2Ni2 tetrahedra,  a cornercorner with one O(3)MgTl2Ni trigonal pyramid, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(10)MgTlNi2 tetrahedra,  an edgeedge with one O(12)Tl2Ni2 tetrahedra, and  an edgeedge with one O(6)Tl2Ni2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ni(2), one Ni(3), one Tl(1), and one Tl(3) atom to form distorted OTl2Ni2 tetrahedra that share  a cornercorner with one O(9)MgTl2Ni tetrahedra,  a cornercorner with one O(10)MgTlNi2 tetrahedra,  a cornercorner with one O(5)Tl2Ni2 tetrahedra, corners with two equivalent O(1)Tl2Ni2 tetrahedra, corners with two equivalent O(4)Tl2Ni2 trigonal pyramids, corners with two equivalent O(6)Tl2Ni2 trigonal pyramids,  an edgeedge with one O(1)Tl2Ni2 tetrahedra,  an edgeedge with one O(3)MgTl2Ni trigonal pyramid, and  an edgeedge with one O(11)Tl2Ni2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgTl4(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.728
_cell_length_b   5.590
_cell_length_c   8.814
_cell_angle_alpha   83.865
_cell_angle_beta   101.961
_cell_angle_gamma   97.760
_symmetry_Int_Tables_number   1
_cell_volume   272.645
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.249  0.439  0.874  1.0
  Tl  Tl1  1  0.472  0.501  0.243  1.0
  Tl  Tl2  1  0.004  0.970  0.713  1.0
  Tl  Tl3  1  0.597  0.414  0.660  1.0
  Tl  Tl4  1  0.005  0.034  0.233  1.0
  Ni  Ni5  1  0.438  0.995  0.030  1.0
  Ni  Ni6  1  0.571  0.989  0.452  1.0
  Ni  Ni7  1  0.051  0.527  0.460  1.0
  Ni  Ni8  1  0.890  0.552  0.030  1.0
  O  O9  1  0.717  0.323  0.443  1.0
  O  O10  1  0.580  0.322  0.979  1.0
  O  O11  1  0.204  0.335  0.653  1.0
  O  O12  1  0.907  0.851  0.461  1.0
  O  O13  1  0.719  0.808  0.105  1.0
  O  O14  1  0.403  0.065  0.246  1.0
  O  O15  1  0.135  0.108  0.953  1.0
  O  O16  1  0.613  0.002  0.672  1.0
  O  O17  1  0.917  0.582  0.804  1.0
  O  O18  1  0.263  0.679  0.033  1.0
  O  O19  1  0.042  0.422  0.247  1.0
  O  O20  1  0.400  0.678  0.459  1.0
[/CIF]
.