data_[V6Fe2Ni14]
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 [8.2013]
_cell_length_b [8.6196]
_cell_length_c [4.4191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3FeNi7]
_chemical_formula_sum '[V6 Fe2 Ni14]'
_cell_volume [276.7191]
_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  4  0.0000  0.2343  0.0000  1
  V  V1  2  0.0000  0.0000  0.5000  1
  Fe  Fe2  2  0.0000  0.5000  0.5000  1
  Ni  Ni3  8  0.1728  0.2319  0.6759  1
  Ni  Ni4  4  0.1787  0.0000  0.1103  1
  Ni  Ni5  2  0.0000  0.5000  0.0000  1
]