data_[Ba8Li8Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1850]
_cell_length_b [22.6652]
_cell_length_c [7.9095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba2Li2Bi3]
_chemical_formula_sum '[Ba8 Li8 Bi12]'
_cell_volume [929.5174]
_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  0.0000  0.0450  0.2500  1
  Ba  Ba1  4  0.0000  0.1614  0.7500  1
  Li  Li2  8  0.0000  0.3008  0.5588  1
  Bi  Bi3  8  0.0000  0.4281  0.0583  1
  Bi  Bi4  4  0.0000  0.2167  0.2500  1
]