data_[V2Fe4Ni12]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0076]
_cell_length_b [3.5223]
_cell_length_c [7.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V(FeNi3)2]
_chemical_formula_sum '[V2 Fe4 Ni12]'
_cell_volume [200.4867]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1707  0.5000  0.7281  1.0
  Ni  Ni2  4  0.0005  0.0000  0.1692  1.0
  Ni  Ni3  4  0.1654  0.5000  0.0539  1.0
  Ni  Ni4  4  0.1656  0.5000  0.3889  1.0
]