data_[Ba4Al4Bi8]
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
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.9344]
_cell_length_b [7.3069]
_cell_length_c [12.9907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BaAlBi2]
_chemical_formula_sum '[Ba4 Al4 Bi8]'
_cell_volume [598.6776]
_cell_formula_units_Z [4]
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  4  0.3244  0.2430  0.3687  1
  Al  Al1  4  0.2113  0.0885  0.6119  1
  Bi  Bi2  4  0.1241  0.2840  0.0546  1
  Bi  Bi3  4  0.3676  0.2551  0.8276  1
]