data_[Tl4Cu4Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6632]
_cell_length_b [3.8673]
_cell_length_c [7.6562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cu2SbS4]
_chemical_formula_sum '[Tl4 Cu4 Sb2 S8]'
_cell_volume [408.8388]
_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  0.1337  0.0000  0.5570  1.0
  Cu  Cu1  4  0.1918  0.5000  0.9976  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0294  0.5000  0.7739  1.0
  S  S4  4  0.1976  0.0000  0.1738  1.0
]