data_[V6Ni14]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9449]
_cell_length_b [3.5104]
_cell_length_c [5.1016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3Ni7]
_chemical_formula_sum '[V6 Ni14]'
_cell_volume [227.9138]
_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  0.2014  0.0000  0.6121  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  4  0.0973  0.5000  0.7967  1.0
  Ni  Ni3  4  0.0978  0.5000  0.2988  1.0
  Ni  Ni4  4  0.1978  0.0000  0.1011  1.0
  Ni  Ni5  2  0.0000  0.0000  0.5000  1.0
]