data_[V48Ni48N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.7313]
_cell_length_b [10.7313]
_cell_length_c [10.7313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [V3Ni3N]
_chemical_formula_sum '[V48 Ni48 N16]'
_cell_volume [1235.8094]
_cell_formula_units_Z [16]
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  48  0.0000  0.0000  0.1842  1
  Ni  Ni1  32  0.0852  0.0852  0.4148  1
  Ni  Ni2  16  0.1250  0.1250  0.6250  1
  N  N3  16  0.1250  0.1250  0.1250  1
]