data_[Ba4Li2Bi10]
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 [I4mm]
_cell_length_a [7.3414]
_cell_length_b [7.3414]
_cell_length_c [10.4153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ba2LiBi5]
_chemical_formula_sum '[Ba4 Li2 Bi10]'
_cell_volume [561.3392]
_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  0.0000  0.5000  0.2333  1.0
  Li  Li1  2  0.0000  0.0000  0.1050  1.0
  Bi  Bi2  8  0.2314  0.2314  0.4787  1.0
  Bi  Bi3  2  0.0000  0.0000  0.7908  1.0
]