data_[Tl4Ga2Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.1144]
_cell_length_b [8.5833]
_cell_length_c [6.1686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl2GaSbS4]
_chemical_formula_sum '[Tl4 Ga2 Sb2 S8]'
_cell_volume [482.5762]
_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  0.2146  0.3473  0.4527  1.0
  Ga  Ga1  2  0.0000  0.0996  0.9998  1.0
  Sb  Sb2  2  0.0000  0.8035  0.4771  1.0
  S  S3  4  0.2032  0.2457  0.9264  1.0
  S  S4  2  0.0000  0.0775  0.3812  1.0
  S  S5  2  0.0000  0.8376  0.8836  1.0
]