# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13814557
_cell_length_b   10.72067589
_cell_length_c   51.10778157
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr24 Ni24'
_cell_volume   1719.4212192
_cell_formula_units_Z   24
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
  Zr  Zr1  1  1.003428  0.212601  0.278300  1
  Zr  Zr2  1  0.503428  0.477651  0.298353  1
  Zr  Zr3  1  0.503428  0.790381  0.314707  1
  Zr  Zr4  1  1.003428  0.056419  0.336102  1
  Zr  Zr5  1  1.003428  0.369780  0.353232  1
  Zr  Zr6  1  0.503428  0.636334  0.374372  1
  Zr  Zr7  1  0.503428  0.948382  0.391720  1
  Zr  Zr8  1  1.003428  0.215531  0.413068  1
  Zr  Zr9  1  1.003428  0.527908  0.430291  1
  Zr  Zr10  1  0.503428  0.794415  0.451493  1
  Zr  Zr11  1  0.503428  0.106511  0.468803  1
  Zr  Zr12  1  1.003428  0.373241  0.490100  1
  Zr  Zr13  1  1.003428  0.685652  0.507300  1
  Zr  Zr14  1  0.503428  0.952382  0.528598  1
  Zr  Zr15  1  0.503428  0.264478  0.545908  1
  Zr  Zr16  1  1.003428  0.530985  0.567110  1
  Zr  Zr17  1  1.003428  0.843362  0.584333  1
  Zr  Zr18  1  0.503428  0.110511  0.605681  1
  Zr  Zr19  1  0.503428  0.422559  0.623028  1
  Zr  Zr20  1  1.003428  0.689113  0.644169  1
  Zr  Zr21  1  1.003428  0.002474  0.661298  1
  Zr  Zr22  1  0.503428  0.268513  0.682694  1
  Zr  Zr23  1  0.503428  0.581242  0.699048  1
  Zr  Zr24  1  1.003428  0.846292  0.719101  1
  Ni  Ni25  1  1.003428  0.606571  0.331045  1
  Ni  Ni26  1  0.503428  0.242210  0.319199  1
  Ni  Ni27  1  0.503428  0.024377  0.293402  1
  Ni  Ni28  1  1.003428  0.663662  0.280726  1
  Ni  Ni29  1  1.003428  0.763720  0.408552  1
  Ni  Ni30  1  0.503428  0.400682  0.396310  1
  Ni  Ni31  1  0.503428  0.184833  0.370300  1
  Ni  Ni32  1  1.003428  0.821101  0.357422  1
  Ni  Ni33  1  1.003428  0.921636  0.485632  1
  Ni  Ni34  1  0.503428  0.558239  0.473243  1
  Ni  Ni35  1  0.503428  0.342836  0.447155  1
  Ni  Ni36  1  1.003428  0.979329  0.434671  1
  Ni  Ni37  1  1.003428  0.079564  0.562730  1
  Ni  Ni38  1  0.503428  0.716057  0.550246  1
  Ni  Ni39  1  0.503428  0.500655  0.524158  1
  Ni  Ni40  1  1.003428  0.137257  0.511769  1
  Ni  Ni41  1  1.003428  0.237793  0.639979  1
  Ni  Ni42  1  0.503428  0.874060  0.627101  1
  Ni  Ni43  1  0.503428  0.658211  0.601091  1
  Ni  Ni44  1  1.003428  0.295174  0.588849  1
  Ni  Ni45  1  1.003428  0.395231  0.716675  1
  Ni  Ni46  1  0.503428  0.034516  0.703999  1
  Ni  Ni47  1  0.503428  0.816683  0.678202  1
  Ni  Ni48  1  1.003428  0.452322  0.666356  1
