# generated using pymatgen
data_NbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90270499
_cell_length_b   4.90270499
_cell_length_c   53.33591199
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi
_chemical_formula_sum   'Nb39 Ni39'
_cell_volume   1110.25280667
_cell_formula_units_Z   39
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  0.66666700  0.33333300  0.10853500  1
  Nb  Nb1  1  0.00000000  0.00000000  0.27365100  1
  Nb  Nb2  1  0.66666700  0.33333300  0.05968200  1
  Nb  Nb3  1  0.00000000  0.00000000  0.22479800  1
  Nb  Nb4  1  0.33333300  0.66666700  0.08463300  1
  Nb  Nb5  1  0.66666700  0.33333300  0.24883400  1
  Nb  Nb6  1  0.00000000  0.00000000  0.08450000  1
  Nb  Nb7  1  0.33333300  0.66666700  0.24870100  1
  Nb  Nb8  1  0.66666700  0.33333300  0.16032300  1
  Nb  Nb9  1  0.00000000  0.00000000  0.32662800  1
  Nb  Nb10  1  0.66666700  0.33333300  0.00670500  1
  Nb  Nb11  1  0.00000000  0.00000000  0.17301000  1
  Nb  Nb12  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb13  1  0.33333300  0.66666700  0.44186900  1
  Nb  Nb14  1  0.66666700  0.33333300  0.60698500  1
  Nb  Nb15  1  0.33333300  0.66666700  0.39301500  1
  Nb  Nb16  1  0.66666700  0.33333300  0.55813100  1
  Nb  Nb17  1  0.00000000  0.00000000  0.41796600  1
  Nb  Nb18  1  0.33333300  0.66666700  0.58216700  1
  Nb  Nb19  1  0.66666700  0.33333300  0.41783300  1
  Nb  Nb20  1  0.00000000  0.00000000  0.58203400  1
  Nb  Nb21  1  0.33333300  0.66666700  0.49365700  1
  Nb  Nb22  1  0.66666700  0.33333300  0.65996200  1
  Nb  Nb23  1  0.33333300  0.66666700  0.34003800  1
  Nb  Nb24  1  0.66666700  0.33333300  0.50634300  1
  Nb  Nb25  1  0.66666700  0.33333300  0.33333300  1
  Nb  Nb26  1  0.00000000  0.00000000  0.77520200  1
  Nb  Nb27  1  0.33333300  0.66666700  0.94031800  1
  Nb  Nb28  1  0.00000000  0.00000000  0.72634900  1
  Nb  Nb29  1  0.33333300  0.66666700  0.89146500  1
  Nb  Nb30  1  0.66666700  0.33333300  0.75129900  1
  Nb  Nb31  1  0.00000000  0.00000000  0.91550000  1
  Nb  Nb32  1  0.33333300  0.66666700  0.75116600  1
  Nb  Nb33  1  0.66666700  0.33333300  0.91536700  1
  Nb  Nb34  1  0.00000000  0.00000000  0.82699000  1
  Nb  Nb35  1  0.33333300  0.66666700  0.99329500  1
  Nb  Nb36  1  0.00000000  0.00000000  0.67337200  1
  Nb  Nb37  1  0.33333300  0.66666700  0.83967700  1
  Nb  Nb38  1  0.33333300  0.66666700  0.66666700  1
  Ni  Ni39  1  0.16868000  0.33736000  0.03977200  1
  Ni  Ni40  1  0.50015800  0.00031700  0.20402700  1
  Ni  Ni41  1  0.16868000  0.83132000  0.03977200  1
  Ni  Ni42  1  0.50015800  0.49984200  0.20402700  1
  Ni  Ni43  1  0.66264000  0.83132000  0.03977200  1
  Ni  Ni44  1  0.99968300  0.49984200  0.20402700  1
  Ni  Ni45  1  0.16650800  0.33301700  0.12930600  1
  Ni  Ni46  1  0.49798700  0.99597400  0.29356100  1
  Ni  Ni47  1  0.16650800  0.83349200  0.12930600  1
  Ni  Ni48  1  0.49798700  0.50201300  0.29356100  1
  Ni  Ni49  1  0.66698300  0.83349200  0.12930600  1
  Ni  Ni50  1  0.00402600  0.50201300  0.29356100  1
  Ni  Ni51  1  0.33333300  0.66666700  0.16666700  1
  Ni  Ni52  1  0.83534700  0.67069300  0.37310500  1
  Ni  Ni53  1  0.16682500  0.33365000  0.53736100  1
  Ni  Ni54  1  0.83534700  0.16465300  0.37310500  1
  Ni  Ni55  1  0.16682500  0.83317500  0.53736100  1
  Ni  Ni56  1  0.32930700  0.16465300  0.37310500  1
  Ni  Ni57  1  0.66635000  0.83317500  0.53736100  1
  Ni  Ni58  1  0.83317500  0.66635000  0.46263900  1
  Ni  Ni59  1  0.16465300  0.32930700  0.62689500  1
  Ni  Ni60  1  0.83317500  0.16682500  0.46263900  1
  Ni  Ni61  1  0.16465300  0.83534700  0.62689500  1
  Ni  Ni62  1  0.33365000  0.16682500  0.46263900  1
  Ni  Ni63  1  0.67069300  0.83534700  0.62689500  1
  Ni  Ni64  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni65  1  0.50201300  0.00402600  0.70643900  1
  Ni  Ni66  1  0.83349200  0.66698300  0.87069400  1
  Ni  Ni67  1  0.50201300  0.49798700  0.70643900  1
  Ni  Ni68  1  0.83349200  0.16650800  0.87069400  1
  Ni  Ni69  1  0.99597400  0.49798700  0.70643900  1
  Ni  Ni70  1  0.33301700  0.16650800  0.87069400  1
  Ni  Ni71  1  0.49984200  0.99968300  0.79597300  1
  Ni  Ni72  1  0.83132000  0.66264000  0.96022800  1
  Ni  Ni73  1  0.49984200  0.50015800  0.79597300  1
  Ni  Ni74  1  0.83132000  0.16868000  0.96022800  1
  Ni  Ni75  1  0.00031700  0.50015800  0.79597300  1
  Ni  Ni76  1  0.33736000  0.16868000  0.96022800  1
  Ni  Ni77  1  0.66666700  0.33333300  0.83333300  1
