data_[Nb6Co1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8449]
_cell_length_b [5.2879]
_cell_length_c [5.4153]
_cell_angle_alpha [96.3818]
_cell_angle_beta [111.2209]
_cell_angle_gamma [90.8634]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nb6CoN]
_chemical_formula_sum '[Nb6 Co1 N1]'
_cell_volume [128.2980]
_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
[
  Nb  Nb0  2  0.0658  0.7863  0.6480  1
  Nb  Nb1  2  0.2130  0.3468  0.9475  1
  Nb  Nb2  2  0.4073  0.8923  0.2459  1
  Co  Co3  1  0.5000  0.5000  0.5000  1
  N  N4  1  0.0000  0.0000  0.0000  1
]