data_[Nb4Bi4N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [P1]
_cell_length_a [5.7325]
_cell_length_b [5.7429]
_cell_length_c [9.9051]
_cell_angle_alpha [73.6007]
_cell_angle_beta [73.8150]
_cell_angle_gamma [60.8090]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbBiN2O]
_chemical_formula_sum '[Nb4 Bi4 N8 O4]'
_cell_volume [269.1956]
_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
[
  Nb  Nb0  1  0.0107  0.0084  0.0120  1
  Nb  Nb1  1  0.2332  0.2587  0.2626  1
  Nb  Nb2  1  0.4907  0.5305  0.5101  1
  Nb  Nb3  1  0.7399  0.7833  0.7476  1
  Bi  Bi4  1  0.0878  0.1683  0.6325  1
  Bi  Bi5  1  0.3956  0.3465  0.8788  1
  Bi  Bi6  1  0.5802  0.6578  0.1292  1
  Bi  Bi7  1  0.9202  0.8388  0.3798  1
  N  N8  1  0.0346  0.2169  0.1229  1
  N  N9  1  0.1039  0.5769  0.5991  1
  N  N10  1  0.1498  0.6527  0.1518  1
  N  N11  1  0.3669  0.8332  0.3356  1
  N  N12  1  0.3887  0.9152  0.8949  1
  N  N13  1  0.5372  0.7157  0.6231  1
  N  N14  1  0.6634  0.1464  0.6474  1
  N  N15  1  0.9178  0.3812  0.4083  1
  O  O16  1  0.4922  0.2683  0.3588  1
  O  O17  1  0.5931  0.0953  0.0831  1
  O  O18  1  0.8272  0.3410  0.8467  1
  O  O19  1  0.9669  0.7650  0.8753  1
]