data_[V6Ni51]
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 [R-3m]
_cell_length_a [7.9854]
_cell_length_b [7.9854]
_cell_length_c [12.1451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [V2Ni17]
_chemical_formula_sum '[V6 Ni51]'
_cell_volume [670.6973]
_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  6  0.0000  0.0000  0.3051  1
  Ni  Ni1  18  0.0000  0.3138  0.0000  1
  Ni  Ni2  18  0.0048  0.5024  0.1544  1
  Ni  Ni3  9  0.0000  0.5000  0.5000  1
  Ni  Ni4  6  0.0000  0.0000  0.0981  1
]