# generated using pymatgen
data_NbVNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09226327
_cell_length_b   4.89890067
_cell_length_c   8.48771960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVNi
_chemical_formula_sum   'Nb8 V8 Ni8'
_cell_volume   336.48031434
_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  1  0.50000000  0.17585900  0.18351700  1
  Nb  Nb1  1  0.00000000  0.34041400  0.30458800  1
  Nb  Nb2  1  0.00000000  0.34041400  0.69541200  1
  Nb  Nb3  1  0.50000000  0.17585900  0.81648300  1
  Nb  Nb4  1  0.00000000  0.67585900  0.18351700  1
  Nb  Nb5  1  0.50000000  0.84041400  0.30458800  1
  Nb  Nb6  1  0.50000000  0.84041400  0.69541200  1
  Nb  Nb7  1  0.00000000  0.67585900  0.81648300  1
  V  V8  1  0.00000000  0.15791200  0.00000000  1
  V  V9  1  0.25355900  0.08485400  0.50000000  1
  V  V10  1  0.74644100  0.08485400  0.50000000  1
  V  V11  1  0.50000000  0.32692300  0.50000000  1
  V  V12  1  0.50000000  0.65791200  0.00000000  1
  V  V13  1  0.75355900  0.58485400  0.50000000  1
  V  V14  1  0.24644100  0.58485400  0.50000000  1
  V  V15  1  0.00000000  0.82692300  0.50000000  1
  Ni  Ni16  1  0.50000000  0.49944300  0.24506600  1
  Ni  Ni17  1  0.50000000  0.49944300  0.75493400  1
  Ni  Ni18  1  0.24465200  0.40711400  0.00000000  1
  Ni  Ni19  1  0.75534800  0.40711400  0.00000000  1
  Ni  Ni20  1  0.00000000  0.99944300  0.24506600  1
  Ni  Ni21  1  0.00000000  0.99944300  0.75493400  1
  Ni  Ni22  1  0.74465200  0.90711400  0.00000000  1
  Ni  Ni23  1  0.25534800  0.90711400  0.00000000  1
