data_[Nd4Bi4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4343]
_cell_length_b [6.4813]
_cell_length_c [6.9051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NdBiO3]
_chemical_formula_sum '[Nd4 Bi4 O12]'
_cell_volume [332.6789]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.3511  0.6881  0.1302  1.0
  Bi  Bi1  4  0.1534  0.1904  0.1251  1.0
  O  O2  4  0.2054  0.5384  0.8382  1.0
  O  O3  4  0.2066  0.5459  0.4146  1.0
  O  O4  4  0.4343  0.1940  0.6309  1.0
]