data_[Tl8Bi4Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4118]
_cell_length_b [8.5016]
_cell_length_c [11.9595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tl2BiSbS4]
_chemical_formula_sum '[Tl8 Bi4 Sb4 S16]'
_cell_volume [855.2668]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.2500  0.2500  0.2500  1.0
  Bi  Bi2  4  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.2500  0.2500  0.7500  1.0
  S  S4  8  0.0000  0.0284  0.7604  1.0
  S  S5  8  0.2287  0.2500  0.9854  1.0
]