data_[Nd1Bi1N2O1]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8080]
_cell_length_b [3.9693]
_cell_length_c [5.3046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NdBiN2O]
_chemical_formula_sum '[Nd1 Bi1 N2 O1]'
_cell_volume [80.1775]
_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
[
  Nd  Nd0  1  0.0000  0.5000  0.1189  1
  Bi  Bi1  1  0.5000  0.0000  0.5776  1
  N  N2  1  0.0000  0.0000  0.3924  1
  N  N3  1  0.5000  0.0000  0.9714  1
  O  O4  1  0.5000  0.5000  0.4001  1
]