data_[Li5Cd1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3574]
_cell_length_b [3.3574]
_cell_length_c [20.4328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li5CdBi4]
_chemical_formula_sum '[Li5 Cd1 Bi4]'
_cell_volume [230.3213]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.0846  1.0
  Li  Li1  2  0.5000  0.5000  0.2897  1.0
  Li  Li2  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd3  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  2  0.0000  0.0000  0.1829  1.0
  Bi  Bi5  2  0.0000  0.0000  0.3942  1.0
]