data_[Ce1Nd2Th1Bi4]
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
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9727]
_cell_length_b [4.6052]
_cell_length_c [7.9820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeNd2ThBi4]
_chemical_formula_sum '[Ce1 Nd2 Th1 Bi4]'
_cell_volume [276.3693]
_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  1  0.0000  0.0000  0.0000  1
  Nd  Nd1  1  0.0000  0.5000  0.5000  1
  Nd  Nd2  1  0.5000  0.0000  0.5000  1
  Th  Th3  1  0.5000  0.5000  0.0000  1
  Bi  Bi4  2  0.2497  0.5000  0.2486  1
  Bi  Bi5  2  0.2502  0.0000  0.7510  1
]