data_[La4Nd2Bi2]
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 [P2_1/m]
_cell_length_a [4.7412]
_cell_length_b [4.7154]
_cell_length_c [12.4694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2NdBi]
_chemical_formula_sum '[La4 Nd2 Bi2]'
_cell_volume [273.6894]
_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  2  0.0441  0.7500  0.1197  1
  La  La1  2  0.4242  0.7500  0.8636  1
  Nd  Nd2  2  0.3034  0.2500  0.6085  1
  Bi  Bi3  2  0.1731  0.2500  0.3412  1
]