data_[Tl2Sb2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4045]
_cell_length_b [6.4204]
_cell_length_c [6.9290]
_cell_angle_alpha [63.0909]
_cell_angle_beta [72.0294]
_cell_angle_gamma [86.9748]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSbS2]
_chemical_formula_sum '[Tl2 Sb2 S4]'
_cell_volume [240.4047]
_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  0.1513  0.3673  0.2709  1.0
  Sb  Sb1  2  0.4170  0.1627  0.7358  1.0
  S  S2  2  0.2246  0.9021  0.1832  1.0
  S  S3  2  0.3321  0.5356  0.7452  1.0
]