data_[Nb8Cr16P12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2815]
_cell_length_b [5.3336]
_cell_length_c [11.7205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2Cr4(PN)3]
_chemical_formula_sum '[Nb8 Cr16 P12 N12]'
_cell_volume [559.2482]
_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  8  0.0513  0.4153  0.3976  1
  Cr  Cr1  8  0.1142  0.0815  0.5986  1
  Cr  Cr2  8  0.2173  0.0879  0.9010  1
  P  P3  8  0.1821  0.5969  0.2505  1
  P  P4  4  0.0000  0.0523  0.2500  1
  N  N5  8  0.0878  0.2361  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]