data_[Nb4Re4N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8292]
_cell_length_b [6.8211]
_cell_length_c [3.9025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbReNO]
_chemical_formula_sum '[Nb4 Re4 N4 O4]'
_cell_volume [197.0529]
_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  2  0.1317  0.0000  0.3953  1
  Nb  Nb1  2  0.2023  0.5000  0.0766  1
  Re  Re2  4  0.3817  0.2906  0.7343  1
  N  N3  2  0.1889  0.5000  0.5600  1
  N  N4  2  0.4118  0.0000  0.7336  1
  O  O5  4  0.1509  0.1801  0.8830  1
]