data_[Nd4Ni2Bi2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  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 [5.6627]
_cell_length_b [5.9681]
_cell_length_c [9.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2NiBiO6]
_chemical_formula_sum '[Nd4 Ni2 Bi2 O12]'
_cell_volume [279.3992]
_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
[
  Nd  Nd0  4  0.2767  0.5648  0.7522  1.0
  Ni  Ni1  2  0.5000  0.0000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1316  0.5530  0.2599  1.0
  O  O4  4  0.2722  0.1903  0.0670  1.0
  O  O5  4  0.3827  0.7051  0.0662  1.0
]