data_[Nb8V8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0969]
_cell_length_b [4.9038]
_cell_length_c [8.4892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbVNi]
_chemical_formula_sum '[Nb8 V8 Ni8]'
_cell_volume [337.0664]
_cell_formula_units_Z [8]
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
[
  Nb  Nb0  4  0.1843  0.0000  0.6749  1.0
  Nb  Nb1  4  0.3049  0.0000  0.3408  1.0
  V  V2  4  0.5000  0.2463  0.5866  1.0
  V  V3  2  0.0000  0.0000  0.1567  1.0
  V  V4  2  0.5000  0.0000  0.8287  1.0
  Ni  Ni5  4  0.0000  0.2451  0.4049  1.0
  Ni  Ni6  4  0.2453  0.0000  0.0001  1.0
]