data_[Tl2Pt4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-3m1]
_cell_length_a [7.2178]
_cell_length_b [7.2178]
_cell_length_c [6.2102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TlPt2S3]
_chemical_formula_sum '[Tl2 Pt4 S6]'
_cell_volume [280.1867]
_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  2  0.3333  0.6667  0.3711  1.0
  Pt  Pt1  3  0.0000  0.5000  0.0000  1.0
  Pt  Pt2  1  0.0000  0.0000  0.0000  1.0
  S  S3  6  0.1702  0.3404  0.8137  1.0
]