data_[Ba8Ga4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3514]
_cell_length_b [4.4893]
_cell_length_c [8.4276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Ga2Bi]
_chemical_formula_sum '[Ba8 Ga4 Bi2]'
_cell_volume [618.3920]
_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  4  0.0922  0.5000  0.2946  1
  Ba  Ba1  4  0.1505  0.5000  0.8117  1
  Ga  Ga2  4  0.2132  0.0000  0.5257  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
]