data_[V6Fe1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3456]
_cell_length_b [4.8715]
_cell_length_c [4.9576]
_cell_angle_alpha [96.3072]
_cell_angle_beta [111.7094]
_cell_angle_gamma [90.9701]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V6FeN]
_chemical_formula_sum '[V6 Fe1 N1]'
_cell_volume [96.7271]
_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
[
  V  V0  2  0.0666  0.7868  0.6513  1.0
  V  V1  2  0.2063  0.3484  0.9371  1.0
  V  V2  2  0.4178  0.8995  0.2498  1.0
  Fe  Fe3  1  0.5000  0.5000  0.5000  1.0
  N  N4  1  0.0000  0.0000  0.0000  1.0
]