data_[Li4La8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.7904]
_cell_length_b [13.7010]
_cell_length_c [6.7351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li(LaBi)2]
_chemical_formula_sum '[Li4 La8 Bi8]'
_cell_volume [626.5919]
_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
[
  Li  Li0  4  0.0000  0.5000  0.2500  1.0
  La  La1  8  0.2200  0.1391  0.0000  1.0
  Bi  Bi2  8  0.2361  0.6177  0.5000  1.0
]