data_[Al8Bi8Se8Cl32]
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
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [12.2545]
_cell_length_b [12.2545]
_cell_length_c [11.4207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [AlBiSeCl4]
_chemical_formula_sum '[Al8 Bi8 Se8 Cl32]'
_cell_volume [1715.0716]
_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  0.0723  0.8024  0.2144  1
  Bi  Bi1  8  0.0593  0.6562  0.8707  1
  Se  Se2  8  0.0553  0.6463  0.6205  1
  Cl  Cl3  8  0.0509  0.6406  0.1368  1
  Cl  Cl4  8  0.0814  0.1349  0.2704  1
  Cl  Cl5  8  0.1074  0.1512  0.9256  1
  Cl  Cl6  8  0.1813  0.7994  0.3641  1
]