data_[Ce3Nd1Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0298]
_cell_length_b [5.0298]
_cell_length_c [19.4061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce3NdBi12]
_chemical_formula_sum '[Ce3 Nd1 Bi12]'
_cell_volume [490.9508]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.2524  1
  Ce  Ce1  1  0.0000  0.0000  0.5000  1
  Nd  Nd2  1  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.0000  0.5000  0.1263  1
  Bi  Bi4  4  0.0000  0.5000  0.3758  1
  Bi  Bi5  2  0.5000  0.5000  0.2504  1
  Bi  Bi6  1  0.5000  0.5000  0.0000  1
  Bi  Bi7  1  0.5000  0.5000  0.5000  1
]