# generated using pymatgen
data_NbNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21909961
_cell_length_b   4.52733326
_cell_length_c   5.08268979
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi3
_chemical_formula_sum   'Nb2 Ni6'
_cell_volume   97.08582996
_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
  Nb  Nb0  1  0.25000000  0.34969528  0.75000000  1.0
  Nb  Nb1  1  0.75000000  0.65030472  0.25000000  1.0
  Ni  Ni2  1  0.25000000  0.31511924  0.25000000  1.0
  Ni  Ni3  1  0.75000000  0.68488076  0.75000000  1.0
  Ni  Ni4  1  0.75000000  0.15775269  0.49898026  1.0
  Ni  Ni5  1  0.25000000  0.84224731  0.50101974  1.0
  Ni  Ni6  1  0.25000000  0.84224731  0.99898026  1.0
  Ni  Ni7  1  0.75000000  0.15775269  0.00101974  1.0