data_[Li4Ce4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4648]
_cell_length_b [4.6314]
_cell_length_c [6.4934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCeBi3]
_chemical_formula_sum '[Li4 Ce4 Bi12]'
_cell_volume [576.9851]
_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  0.2106  0.0000  0.3538  1.0
  Ce  Ce1  4  0.1039  0.5000  0.0149  1.0
  Bi  Bi2  4  0.0111  0.0000  0.2398  1.0
  Bi  Bi3  4  0.1240  0.5000  0.5295  1.0
  Bi  Bi4  4  0.2102  0.0000  0.8316  1.0
]