# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89647703
_cell_length_b   9.89647703
_cell_length_c   48.54163652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr40 Ni80'
_cell_volume   4117.24098709
_cell_formula_units_Z   40
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  0.417311  0.208763  0.324177  1
  Zr  Zr2  1  0.583978  0.042096  0.303704  1
  Zr  Zr3  1  0.417311  0.708763  0.324177  1
  Zr  Zr4  1  0.583978  0.542096  0.303704  1
  Zr  Zr5  1  0.917311  0.708763  0.324177  1
  Zr  Zr6  1  0.083978  0.542096  0.303704  1
  Zr  Zr7  1  0.917311  0.208763  0.324177  1
  Zr  Zr8  1  0.083978  0.042096  0.303704  1
  Zr  Zr9  1  0.750645  0.875430  0.405922  1
  Zr  Zr10  1  0.917311  0.708763  0.385517  1
  Zr  Zr11  1  0.750645  0.375430  0.405922  1
  Zr  Zr12  1  0.917311  0.208763  0.385517  1
  Zr  Zr13  1  0.250645  0.375430  0.405922  1
  Zr  Zr14  1  0.417311  0.208763  0.385517  1
  Zr  Zr15  1  0.250645  0.875430  0.405922  1
  Zr  Zr16  1  0.417311  0.708763  0.385517  1
  Zr  Zr17  1  0.083978  0.542096  0.489455  1
  Zr  Zr18  1  0.250645  0.375430  0.468423  1
  Zr  Zr19  1  0.083978  0.042096  0.489455  1
  Zr  Zr20  1  0.250645  0.875430  0.468423  1
  Zr  Zr21  1  0.583978  0.042096  0.489455  1
  Zr  Zr22  1  0.750645  0.875430  0.468423  1
  Zr  Zr23  1  0.583978  0.542096  0.489455  1
  Zr  Zr24  1  0.750645  0.375430  0.468423  1
  Zr  Zr25  1  0.417311  0.208763  0.572488  1
  Zr  Zr26  1  0.583978  0.042096  0.552035  1
  Zr  Zr27  1  0.417311  0.708763  0.572488  1
  Zr  Zr28  1  0.583978  0.542096  0.552035  1
  Zr  Zr29  1  0.917311  0.708763  0.572488  1
  Zr  Zr30  1  0.083978  0.542096  0.552035  1
  Zr  Zr31  1  0.917311  0.208763  0.572488  1
  Zr  Zr32  1  0.083978  0.042096  0.552035  1
  Zr  Zr33  1  0.750645  0.875430  0.658050  1
  Zr  Zr34  1  0.917311  0.708763  0.634639  1
  Zr  Zr35  1  0.750645  0.375430  0.658050  1
  Zr  Zr36  1  0.917311  0.208763  0.634639  1
  Zr  Zr37  1  0.250645  0.375430  0.658050  1
  Zr  Zr38  1  0.417311  0.208763  0.634639  1
  Zr  Zr39  1  0.250645  0.875430  0.658050  1
  Zr  Zr40  1  0.417311  0.708763  0.634639  1
  Ni  Ni41  1  0.416887  0.458551  0.353302  1
  Ni  Ni42  1  0.667524  0.458551  0.353302  1
  Ni  Ni43  1  0.250645  0.875430  0.310612  1
  Ni  Ni44  1  0.667524  0.709188  0.353302  1
  Ni  Ni45  1  0.416887  0.958551  0.353302  1
  Ni  Ni46  1  0.667524  0.958551  0.353302  1
  Ni  Ni47  1  0.250645  0.375430  0.310612  1
  Ni  Ni48  1  0.667524  0.209188  0.353302  1
  Ni  Ni49  1  0.916887  0.958551  0.353302  1
  Ni  Ni50  1  0.167524  0.958551  0.353302  1
  Ni  Ni51  1  0.750645  0.375430  0.310612  1
  Ni  Ni52  1  0.167524  0.209188  0.353302  1
  Ni  Ni53  1  0.916887  0.458551  0.353302  1
  Ni  Ni54  1  0.167524  0.458551  0.353302  1
  Ni  Ni55  1  0.750645  0.875430  0.310612  1
  Ni  Ni56  1  0.167524  0.709188  0.353302  1
  Ni  Ni57  1  0.750594  0.125404  0.437414  1
  Ni  Ni58  1  0.000670  0.125404  0.437414  1
  Ni  Ni59  1  0.583978  0.542096  0.395436  1
  Ni  Ni60  1  0.000670  0.375481  0.437414  1
  Ni  Ni61  1  0.750594  0.625404  0.437414  1
  Ni  Ni62  1  0.000670  0.625404  0.437414  1
  Ni  Ni63  1  0.583978  0.042096  0.395436  1
  Ni  Ni64  1  0.000670  0.875481  0.437414  1
  Ni  Ni65  1  0.250594  0.625404  0.437414  1
  Ni  Ni66  1  0.500670  0.625404  0.437414  1
  Ni  Ni67  1  0.083978  0.042096  0.395436  1
  Ni  Ni68  1  0.500670  0.875481  0.437414  1
  Ni  Ni69  1  0.250594  0.125404  0.437414  1
  Ni  Ni70  1  0.500670  0.125404  0.437414  1
  Ni  Ni71  1  0.083978  0.542096  0.395436  1
  Ni  Ni72  1  0.500670  0.375481  0.437414  1
  Ni  Ni73  1  0.084109  0.792162  0.520680  1
  Ni  Ni74  1  0.333913  0.792162  0.520680  1
  Ni  Ni75  1  0.917311  0.208763  0.479038  1
  Ni  Ni76  1  0.333913  0.041966  0.520680  1
  Ni  Ni77  1  0.084109  0.292162  0.520680  1
  Ni  Ni78  1  0.333913  0.292162  0.520680  1
  Ni  Ni79  1  0.917311  0.708763  0.479038  1
  Ni  Ni80  1  0.333913  0.541966  0.520680  1
  Ni  Ni81  1  0.584109  0.292162  0.520680  1
  Ni  Ni82  1  0.833913  0.292162  0.520680  1
  Ni  Ni83  1  0.417311  0.708763  0.479038  1
  Ni  Ni84  1  0.833913  0.541966  0.520680  1
  Ni  Ni85  1  0.584109  0.792162  0.520680  1
  Ni  Ni86  1  0.833913  0.792162  0.520680  1
  Ni  Ni87  1  0.417311  0.208763  0.479038  1
  Ni  Ni88  1  0.833913  0.041966  0.520680  1
  Ni  Ni89  1  0.416714  0.458464  0.604089  1
  Ni  Ni90  1  0.667610  0.458464  0.604089  1
  Ni  Ni91  1  0.250645  0.875430  0.562464  1
  Ni  Ni92  1  0.667610  0.709361  0.604089  1
  Ni  Ni93  1  0.416714  0.958464  0.604089  1
  Ni  Ni94  1  0.667610  0.958464  0.604089  1
  Ni  Ni95  1  0.250645  0.375430  0.562464  1
  Ni  Ni96  1  0.667610  0.209361  0.604089  1
  Ni  Ni97  1  0.916714  0.958464  0.604089  1
  Ni  Ni98  1  0.167610  0.958464  0.604089  1
  Ni  Ni99  1  0.750645  0.375430  0.562464  1
  Ni  Ni100  1  0.167610  0.209361  0.604089  1
  Ni  Ni101  1  0.916714  0.458464  0.604089  1
  Ni  Ni102  1  0.167610  0.458464  0.604089  1
  Ni  Ni103  1  0.750645  0.875430  0.562464  1
  Ni  Ni104  1  0.167610  0.709361  0.604089  1
  Ni  Ni105  1  0.752346  0.126281  0.686821  1
  Ni  Ni106  1  0.999794  0.126281  0.686821  1
  Ni  Ni107  1  0.583978  0.542096  0.645771  1
  Ni  Ni108  1  0.999794  0.373728  0.686821  1
  Ni  Ni109  1  0.752346  0.626281  0.686821  1
  Ni  Ni110  1  0.999794  0.626281  0.686821  1
  Ni  Ni111  1  0.583978  0.042096  0.645771  1
  Ni  Ni112  1  0.999794  0.873728  0.686821  1
  Ni  Ni113  1  0.252346  0.626281  0.686821  1
  Ni  Ni114  1  0.499794  0.626281  0.686821  1
  Ni  Ni115  1  0.083978  0.042096  0.645771  1
  Ni  Ni116  1  0.499794  0.873728  0.686821  1
  Ni  Ni117  1  0.252346  0.126281  0.686821  1
  Ni  Ni118  1  0.499794  0.126281  0.686821  1
  Ni  Ni119  1  0.083978  0.542096  0.645771  1
  Ni  Ni120  1  0.499794  0.373728  0.686821  1
