data_[V16Cr8Fe12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5153]
_cell_length_b [4.8772]
_cell_length_c [12.7943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V4Cr2(FeN)3]
_chemical_formula_sum '[V16 Cr8 Fe12 N12]'
_cell_volume [516.3539]
_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
[
  V  V0  8  0.1139  0.0874  0.0863  1
  V  V1  8  0.2211  0.0823  0.4132  1
  Cr  Cr2  8  0.0393  0.4192  0.8895  1
  Fe  Fe3  8  0.2491  0.3367  0.2503  1
  Fe  Fe4  4  0.0000  0.0840  0.2500  1
  N  N5  8  0.0788  0.2644  0.4996  1
  N  N6  4  0.2500  0.2500  0.0000  1
]