data_[V36Fe18N3]
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 [R-3]
_cell_length_a [10.0060]
_cell_length_b [10.0060]
_cell_length_c [8.4271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [V12Fe6N]
_chemical_formula_sum '[V36 Fe18 N3]'
_cell_volume [730.6858]
_cell_formula_units_Z [3]
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  18  0.0481  0.1880  0.3680  1
  V  V1  18  0.0903  0.1868  0.8695  1
  Fe  Fe2  18  0.0232  0.3925  0.2670  1
  N  N3  3  0.0000  0.0000  0.0000  1
]