data_[Tl4Ni2Sn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.8254]
_cell_length_b [5.6635]
_cell_length_c [5.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2NiSnO6]
_chemical_formula_sum '[Tl4 Ni2 Sn2 O12]'
_cell_volume [254.9456]
_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
[
  Tl  Tl0  4  0.2494  0.2953  0.7190  1.0
  Ni  Ni1  2  0.0000  0.8148  0.5000  1.0
  Sn  Sn2  2  0.0000  0.3156  0.0000  1.0
  O  O3  4  0.0761  0.0600  0.3217  1.0
  O  O4  4  0.0772  0.5635  0.3345  1.0
  O  O5  4  0.2418  0.3468  0.1012  1.0
]