data_[Ti2Tl2Pt2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3798]
_cell_length_b [3.5819]
_cell_length_c [9.3957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiTlPtS3]
_chemical_formula_sum '[Ti2 Tl2 Pt2 S6]'
_cell_volume [256.1905]
_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
[
  Ti  Ti0  2  0.4760  0.7500  0.8058  1.0
  Tl  Tl1  2  0.0046  0.2500  0.2312  1.0
  Pt  Pt2  2  0.4155  0.2500  0.5484  1.0
  S  S3  2  0.2298  0.7500  0.5597  1.0
  S  S4  2  0.3290  0.7500  0.2104  1.0
  S  S5  2  0.3329  0.2500  0.8996  1.0
]