data_[V8Si8Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2938]
_cell_length_b [3.5919]
_cell_length_c [8.6847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2Si2Ni]
_chemical_formula_sum '[V8 Si8 Ni4]'
_cell_volume [256.2248]
_cell_formula_units_Z [4]
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  0.0170  0.0000  0.6776  1
  V  V1  4  0.1895  0.0000  0.0997  1
  Si  Si2  4  0.0343  0.5000  0.8862  1
  Si  Si3  4  0.1423  0.5000  0.5694  1
  Ni  Ni4  4  0.2078  0.5000  0.3480  1
]