data_[Al8Bi8S8Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [11.9349]
_cell_length_b [11.9349]
_cell_length_c [11.1488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [AlBiSCl4]
_chemical_formula_sum '[Al8 Bi8 S8 Cl32]'
_cell_volume [1588.0476]
_cell_formula_units_Z [8]
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
[
  Al  Al0  8  0.0729  0.1953  0.7159  1
  Bi  Bi1  8  0.0616  0.3455  0.3675  1
  S  S2  8  0.0548  0.3596  0.1246  1
  Cl  Cl3  8  0.0529  0.3614  0.6357  1
  Cl  Cl4  8  0.0852  0.8668  0.7737  1
  Cl  Cl5  8  0.1030  0.8451  0.4268  1
  Cl  Cl6  8  0.1826  0.1979  0.8706  1
]