# generated using pymatgen
data_Nb5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.93006279
_cell_length_b   11.93006279
_cell_length_c   11.93006279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ni
_chemical_formula_sum   'Nb80 Ni16'
_cell_volume   1697.96286688
_cell_formula_units_Z   16
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  0.66055200  0.83944800  0.16055200  1
  Nb  Nb1  1  0.00000000  0.50000000  0.81555100  1
  Nb  Nb2  1  0.66055200  0.16055200  0.83944800  1
  Nb  Nb3  1  0.75000000  0.75000000  0.93444900  1
  Nb  Nb4  1  0.08944800  0.41055200  0.58944800  1
  Nb  Nb5  1  0.75000000  0.06555100  0.25000000  1
  Nb  Nb6  1  0.75000000  0.93444900  0.75000000  1
  Nb  Nb7  1  0.08944800  0.08944800  0.91055200  1
  Nb  Nb8  1  0.83944800  0.16055200  0.66055200  1
  Nb  Nb9  1  0.91055200  0.91055200  0.91055200  1
  Nb  Nb10  1  0.06555100  0.25000000  0.75000000  1
  Nb  Nb11  1  0.43444900  0.75000000  0.25000000  1
  Nb  Nb12  1  0.31555100  0.50000000  0.50000000  1
  Nb  Nb13  1  0.00000000  0.31555100  0.00000000  1
  Nb  Nb14  1  0.75000000  0.25000000  0.06555100  1
  Nb  Nb15  1  0.91055200  0.08944800  0.08944800  1
  Nb  Nb16  1  0.83944800  0.33944800  0.83944800  1
  Nb  Nb17  1  0.00000000  0.18444900  0.50000000  1
  Nb  Nb18  1  0.00000000  0.00000000  0.68444900  1
  Nb  Nb19  1  0.68444900  0.00000000  0.00000000  1
  Nb  Nb20  1  0.66055200  0.33944800  0.66055200  1
  Nb  Nb21  1  0.00000000  0.00000000  0.31555100  1
  Nb  Nb22  1  0.66055200  0.66055200  0.33944800  1
  Nb  Nb23  1  0.75000000  0.25000000  0.43444900  1
  Nb  Nb24  1  0.08944800  0.91055200  0.08944800  1
  Nb  Nb25  1  0.75000000  0.56555100  0.75000000  1
  Nb  Nb26  1  0.75000000  0.43444900  0.25000000  1
  Nb  Nb27  1  0.08944800  0.58944800  0.41055200  1
  Nb  Nb28  1  0.83944800  0.66055200  0.16055200  1
  Nb  Nb29  1  0.91055200  0.41055200  0.41055200  1
  Nb  Nb30  1  0.06555100  0.75000000  0.25000000  1
  Nb  Nb31  1  0.43444900  0.25000000  0.75000000  1
  Nb  Nb32  1  0.31555100  0.00000000  0.00000000  1
  Nb  Nb33  1  0.00000000  0.81555100  0.50000000  1
  Nb  Nb34  1  0.75000000  0.75000000  0.56555100  1
  Nb  Nb35  1  0.91055200  0.58944800  0.58944800  1
  Nb  Nb36  1  0.83944800  0.83944800  0.33944800  1
  Nb  Nb37  1  0.00000000  0.68444900  0.00000000  1
  Nb  Nb38  1  0.00000000  0.50000000  0.18444900  1
  Nb  Nb39  1  0.68444900  0.50000000  0.50000000  1
  Nb  Nb40  1  0.16055200  0.83944800  0.66055200  1
  Nb  Nb41  1  0.50000000  0.50000000  0.31555100  1
  Nb  Nb42  1  0.16055200  0.16055200  0.33944800  1
  Nb  Nb43  1  0.25000000  0.75000000  0.43444900  1
  Nb  Nb44  1  0.58944800  0.41055200  0.08944800  1
  Nb  Nb45  1  0.25000000  0.06555100  0.75000000  1
  Nb  Nb46  1  0.25000000  0.93444900  0.25000000  1
  Nb  Nb47  1  0.58944800  0.08944800  0.41055200  1
  Nb  Nb48  1  0.33944800  0.16055200  0.16055200  1
  Nb  Nb49  1  0.41055200  0.91055200  0.41055200  1
  Nb  Nb50  1  0.56555100  0.25000000  0.25000000  1
  Nb  Nb51  1  0.93444900  0.75000000  0.75000000  1
  Nb  Nb52  1  0.81555100  0.50000000  0.00000000  1
  Nb  Nb53  1  0.50000000  0.31555100  0.50000000  1
  Nb  Nb54  1  0.25000000  0.25000000  0.56555100  1
  Nb  Nb55  1  0.41055200  0.08944800  0.58944800  1
  Nb  Nb56  1  0.33944800  0.33944800  0.33944800  1
  Nb  Nb57  1  0.50000000  0.18444900  0.00000000  1
  Nb  Nb58  1  0.50000000  0.00000000  0.18444900  1
  Nb  Nb59  1  0.18444900  0.00000000  0.50000000  1
  Nb  Nb60  1  0.16055200  0.33944800  0.16055200  1
  Nb  Nb61  1  0.50000000  0.00000000  0.81555100  1
  Nb  Nb62  1  0.16055200  0.66055200  0.83944800  1
  Nb  Nb63  1  0.25000000  0.25000000  0.93444900  1
  Nb  Nb64  1  0.58944800  0.91055200  0.58944800  1
  Nb  Nb65  1  0.25000000  0.56555100  0.25000000  1
  Nb  Nb66  1  0.25000000  0.43444900  0.75000000  1
  Nb  Nb67  1  0.58944800  0.58944800  0.91055200  1
  Nb  Nb68  1  0.33944800  0.66055200  0.66055200  1
  Nb  Nb69  1  0.41055200  0.41055200  0.91055200  1
  Nb  Nb70  1  0.56555100  0.75000000  0.75000000  1
  Nb  Nb71  1  0.93444900  0.25000000  0.25000000  1
  Nb  Nb72  1  0.81555100  0.00000000  0.50000000  1
  Nb  Nb73  1  0.50000000  0.81555100  0.00000000  1
  Nb  Nb74  1  0.25000000  0.75000000  0.06555100  1
  Nb  Nb75  1  0.41055200  0.58944800  0.08944800  1
  Nb  Nb76  1  0.33944800  0.83944800  0.83944800  1
  Nb  Nb77  1  0.50000000  0.68444900  0.50000000  1
  Nb  Nb78  1  0.50000000  0.50000000  0.68444900  1
  Nb  Nb79  1  0.18444900  0.50000000  0.00000000  1
  Ni  Ni80  1  0.87500000  0.37500000  0.62500000  1
  Ni  Ni81  1  0.87500000  0.12500000  0.87500000  1
  Ni  Ni82  1  0.12500000  0.62500000  0.62500000  1
  Ni  Ni83  1  0.62500000  0.37500000  0.87500000  1
  Ni  Ni84  1  0.87500000  0.87500000  0.12500000  1
  Ni  Ni85  1  0.87500000  0.62500000  0.37500000  1
  Ni  Ni86  1  0.12500000  0.12500000  0.12500000  1
  Ni  Ni87  1  0.62500000  0.87500000  0.37500000  1
  Ni  Ni88  1  0.37500000  0.37500000  0.12500000  1
  Ni  Ni89  1  0.37500000  0.12500000  0.37500000  1
  Ni  Ni90  1  0.62500000  0.62500000  0.12500000  1
  Ni  Ni91  1  0.12500000  0.37500000  0.37500000  1
  Ni  Ni92  1  0.37500000  0.87500000  0.62500000  1
  Ni  Ni93  1  0.37500000  0.62500000  0.87500000  1
  Ni  Ni94  1  0.62500000  0.12500000  0.62500000  1
  Ni  Ni95  1  0.12500000  0.87500000  0.87500000  1
