data_[Ba2Al2Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7875]
_cell_length_b [6.8594]
_cell_length_c [8.5017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaAlBiS4]
_chemical_formula_sum '[Ba2 Al2 Bi2 S8]'
_cell_volume [376.8279]
_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
[
  Ba  Ba0  2  0.2641  0.2500  0.0579  1.0
  Al  Al1  2  0.2384  0.7500  0.3203  1.0
  Bi  Bi2  2  0.2264  0.2500  0.5304  1.0
  S  S3  4  0.0146  0.0025  0.2737  1.0
  S  S4  2  0.4319  0.7500  0.1502  1.0
  S  S5  2  0.4455  0.7500  0.5829  1.0
]