# generated using pymatgen
data_Nb5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43582774
_cell_length_b   8.43582774
_cell_length_c   8.43582774
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ni
_chemical_formula_sum   'Nb20 Ni4'
_cell_volume   424.49063239
_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
  Nb  Nb0  1  0.33944800  0.98165500  0.33944800  1.0
  Nb  Nb1  1  0.31555100  0.31555100  0.68444900  1.0
  Nb  Nb2  1  0.33944800  0.33944800  0.98165500  1.0
  Nb  Nb3  1  0.93444900  0.93444900  0.56555100  1.0
  Nb  Nb4  1  0.91055200  0.26834500  0.91055200  1.0
  Nb  Nb5  1  0.56555100  0.93444900  0.56555100  1.0
  Nb  Nb6  1  0.93444900  0.56555100  0.93444900  1.0
  Nb  Nb7  1  0.91055200  0.91055200  0.26834500  1.0
  Nb  Nb8  1  0.98165500  0.33944800  0.33944800  1.0
  Nb  Nb9  1  0.91055200  0.91055200  0.91055200  1.0
  Nb  Nb10  1  0.93444900  0.56555100  0.56555100  1.0
  Nb  Nb11  1  0.56555100  0.93444900  0.93444900  1.0
  Nb  Nb12  1  0.68444900  0.31555100  0.31555100  1.0
  Nb  Nb13  1  0.31555100  0.68444900  0.31555100  1.0
  Nb  Nb14  1  0.56555100  0.56555100  0.93444900  1.0
  Nb  Nb15  1  0.26834500  0.91055200  0.91055200  1.0
  Nb  Nb16  1  0.33944800  0.33944800  0.33944800  1.0
  Nb  Nb17  1  0.68444900  0.31555100  0.68444900  1.0
  Nb  Nb18  1  0.68444900  0.68444900  0.31555100  1.0
  Nb  Nb19  1  0.31555100  0.68444900  0.68444900  1.0
  Ni  Ni20  1  0.12500000  0.12500000  0.62500000  1.0
  Ni  Ni21  1  0.12500000  0.62500000  0.12500000  1.0
  Ni  Ni22  1  0.12500000  0.12500000  0.12500000  1.0
  Ni  Ni23  1  0.62500000  0.12500000  0.12500000  1.0