data_[La10Nd2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1222]
_cell_length_b [14.0652]
_cell_length_c [8.1205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5NdBi6]
_chemical_formula_sum '[La10 Nd2 Bi12]'
_cell_volume [874.6797]
_cell_formula_units_Z [2]
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
[
  La  La0  4  0.0000  0.1672  0.5000  1.0
  La  La1  4  0.0000  0.3335  0.0000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  8  0.2483  0.1655  0.2484  1.0
  Bi  Bi5  4  0.2481  0.0000  0.7510  1.0
]