# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44588681
_cell_length_b   8.35512198
_cell_length_c   49.66551862
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr40 Ni20'
_cell_volume   2674.79464185
_cell_formula_units_Z   20
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  0.827696  0.219557  0.316567  1
  Zr  Zr2  1  0.168365  0.426210  0.358646  1
  Zr  Zr3  1  0.337055  0.312654  0.304698  1
  Zr  Zr4  1  0.669966  0.522574  0.345153  1
  Zr  Zr5  1  0.327696  0.719557  0.316567  1
  Zr  Zr6  1  0.668365  0.926210  0.358646  1
  Zr  Zr7  1  0.837055  0.812654  0.304698  1
  Zr  Zr8  1  0.169966  0.022574  0.345153  1
  Zr  Zr9  1  0.833580  0.630095  0.400708  1
  Zr  Zr10  1  0.171195  0.832668  0.442362  1
  Zr  Zr11  1  0.333409  0.726712  0.386812  1
  Zr  Zr12  1  0.670906  0.929785  0.428655  1
  Zr  Zr13  1  0.333580  0.130095  0.400708  1
  Zr  Zr14  1  0.671195  0.332668  0.442362  1
  Zr  Zr15  1  0.833409  0.226712  0.386812  1
  Zr  Zr16  1  0.170906  0.429785  0.428655  1
  Zr  Zr17  1  0.833516  0.035442  0.484125  1
  Zr  Zr18  1  0.171124  0.238185  0.525876  1
  Zr  Zr19  1  0.333525  0.132599  0.470446  1
  Zr  Zr20  1  0.671133  0.335342  0.512197  1
  Zr  Zr21  1  0.333516  0.535442  0.484125  1
  Zr  Zr22  1  0.671124  0.738185  0.525876  1
  Zr  Zr23  1  0.833525  0.632599  0.470446  1
  Zr  Zr24  1  0.171133  0.835342  0.512197  1
  Zr  Zr25  1  0.833744  0.441000  0.567668  1
  Zr  Zr26  1  0.171240  0.644072  0.609511  1
  Zr  Zr27  1  0.333454  0.538116  0.553960  1
  Zr  Zr28  1  0.671069  0.740689  0.595614  1
  Zr  Zr29  1  0.333744  0.941000  0.567668  1
  Zr  Zr30  1  0.671240  0.144072  0.609511  1
  Zr  Zr31  1  0.833454  0.038116  0.553960  1
  Zr  Zr32  1  0.171069  0.240689  0.595614  1
  Zr  Zr33  1  0.834683  0.848211  0.651169  1
  Zr  Zr34  1  0.167594  0.058130  0.691624  1
  Zr  Zr35  1  0.336284  0.944574  0.637677  1
  Zr  Zr36  1  0.676953  0.151228  0.679755  1
  Zr  Zr37  1  0.334683  0.348211  0.651169  1
  Zr  Zr38  1  0.667594  0.558130  0.691624  1
  Zr  Zr39  1  0.836284  0.444574  0.637677  1
  Zr  Zr40  1  0.176953  0.651228  0.679755  1
  Ni  Ni41  1  0.002400  0.725873  0.352141  1
  Ni  Ni42  1  0.004934  0.519549  0.311919  1
  Ni  Ni43  1  0.502400  0.225873  0.352141  1
  Ni  Ni44  1  0.504934  0.019549  0.311919  1
  Ni  Ni45  1  1.002108  0.131432  0.435529  1
  Ni  Ni46  1  0.002398  0.928952  0.393962  1
  Ni  Ni47  1  0.502108  0.631432  0.435529  1
  Ni  Ni48  1  0.502398  0.428952  0.393962  1
  Ni  Ni49  1  1.002284  0.536735  0.519034  1
  Ni  Ni50  1  0.002365  0.334049  0.477289  1
  Ni  Ni51  1  0.502284  0.036735  0.519034  1
  Ni  Ni52  1  0.502365  0.834049  0.477289  1
  Ni  Ni53  1  1.002251  0.941832  0.602360  1
  Ni  Ni54  1  0.002541  0.739352  0.560794  1
  Ni  Ni55  1  0.502251  0.441832  0.602360  1
  Ni  Ni56  1  0.502541  0.239352  0.560794  1
  Ni  Ni57  1  0.999715  0.351235  0.684404  1
  Ni  Ni58  1  1.002249  0.144911  0.644181  1
  Ni  Ni59  1  0.499715  0.851235  0.684404  1
  Ni  Ni60  1  0.502249  0.644911  0.644181  1
