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 [9.0710]
_cell_length_b [8.5639]
_cell_length_c [6.1649]
_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 [478.9058]
_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  0.2145  0.3474  0.4525  1
  Ga  Ga1  2  0.0000  0.0991  0.0000  1
  Sb  Sb2  2  0.0000  0.8024  0.4766  1
  S  S3  4  0.2037  0.2456  0.9266  1
  S  S4  2  0.0000  0.0777  0.3812  1
  S  S5  2  0.0000  0.8373  0.8839  1
]