# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13420583
_cell_length_b   23.44049287
_cell_length_c   46.74768542
_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   'Zr48 Ni48'
_cell_volume   3434.42760021
_cell_formula_units_Z   48
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  1.004061  0.745957  0.327551  1
  Zr  Zr2  1  1.004061  0.194686  0.290919  1
  Zr  Zr3  1  0.504061  0.873477  0.340787  1
  Zr  Zr4  1  0.504061  0.323104  0.303120  1
  Zr  Zr5  1  0.504061  0.471431  0.308705  1
  Zr  Zr6  1  0.504061  0.924984  0.272523  1
  Zr  Zr7  1  1.004061  0.598982  0.322274  1
  Zr  Zr8  1  1.004061  0.051634  0.284073  1
  Zr  Zr9  1  1.004061  0.845038  0.404941  1
  Zr  Zr10  1  1.004061  0.296001  0.366651  1
  Zr  Zr11  1  0.504061  0.972912  0.417826  1
  Zr  Zr12  1  0.504061  0.423642  0.379062  1
  Zr  Zr13  1  0.504061  0.570418  0.385913  1
  Zr  Zr14  1  0.504061  0.021452  0.347255  1
  Zr  Zr15  1  1.004061  0.698408  0.398263  1
  Zr  Zr16  1  1.004061  0.149163  0.360609  1
  Zr  Zr17  1  1.004061  0.943973  0.482125  1
  Zr  Zr18  1  1.004061  0.395151  0.443727  1
  Zr  Zr19  1  0.504061  0.071960  0.494893  1
  Zr  Zr20  1  0.504061  0.522705  0.456255  1
  Zr  Zr21  1  0.504061  0.669530  0.462878  1
  Zr  Zr22  1  0.504061  0.120121  0.424614  1
  Zr  Zr23  1  1.004061  0.797086  0.475454  1
  Zr  Zr24  1  1.004061  0.248238  0.437214  1
  Zr  Zr25  1  1.004061  0.042913  0.559138  1
  Zr  Zr26  1  1.004061  0.494064  0.520899  1
  Zr  Zr27  1  0.504061  0.171030  0.571738  1
  Zr  Zr28  1  0.504061  0.621621  0.533475  1
  Zr  Zr29  1  0.504061  0.768446  0.540097  1
  Zr  Zr30  1  0.504061  0.219191  0.501460  1
  Zr  Zr31  1  1.004061  0.895999  0.552625  1
  Zr  Zr32  1  1.004061  0.347178  0.514228  1
  Zr  Zr33  1  1.004061  0.141988  0.635743  1
  Zr  Zr34  1  1.004061  0.592743  0.598089  1
  Zr  Zr35  1  0.504061  0.269699  0.649098  1
  Zr  Zr36  1  0.504061  0.720733  0.610440  1
  Zr  Zr37  1  0.504061  0.867509  0.617291  1
  Zr  Zr38  1  0.504061  0.318239  0.578526  1
  Zr  Zr39  1  1.004061  0.995149  0.629701  1
  Zr  Zr40  1  1.004061  0.446113  0.591411  1
  Zr  Zr41  1  1.004061  0.239517  0.712280  1
  Zr  Zr42  1  1.004061  0.692168  0.674079  1
  Zr  Zr43  1  0.504061  0.366166  0.723830  1
  Zr  Zr44  1  0.504061  0.819719  0.687647  1
  Zr  Zr45  1  0.504061  0.968046  0.693233  1
  Zr  Zr46  1  0.504061  0.417673  0.655565  1
  Zr  Zr47  1  1.004061  0.096465  0.705433  1
  Zr  Zr48  1  1.004061  0.545193  0.668801  1
  Ni  Ni49  1  1.004061  0.844533  0.295750  1
  Ni  Ni50  1  1.004061  0.393826  0.333527  1
  Ni  Ni51  1  0.504061  0.675110  0.295881  1
  Ni  Ni52  1  0.504061  0.226347  0.334511  1
  Ni  Ni53  1  0.504061  0.570136  0.277797  1
  Ni  Ni54  1  0.504061  0.119144  0.315917  1
  Ni  Ni55  1  1.004061  0.400701  0.277271  1
  Ni  Ni56  1  1.004061  0.951896  0.315452  1
  Ni  Ni57  1  1.004061  0.943966  0.372724  1
  Ni  Ni58  1  1.004061  0.493223  0.411060  1
  Ni  Ni59  1  0.504061  0.775531  0.372689  1
  Ni  Ni60  1  0.504061  0.325583  0.411887  1
  Ni  Ni61  1  0.504061  0.669809  0.352818  1
  Ni  Ni62  1  0.504061  0.219047  0.392209  1
  Ni  Ni63  1  1.004061  0.500541  0.353626  1
  Ni  Ni64  1  1.004061  0.050326  0.392820  1
  Ni  Ni65  1  1.004061  0.042605  0.449776  1
  Ni  Ni66  1  1.004061  0.592311  0.488199  1
  Ni  Ni67  1  0.504061  0.874344  0.450149  1
  Ni  Ni68  1  0.504061  0.424466  0.488979  1
  Ni  Ni69  1  0.504061  0.767883  0.430205  1
  Ni  Ni70  1  0.504061  0.317942  0.469082  1
  Ni  Ni71  1  1.004061  0.599988  0.430960  1
  Ni  Ni72  1  1.004061  0.149394  0.469631  1
  Ni  Ni73  1  1.004061  0.141757  0.526722  1
  Ni  Ni74  1  1.004061  0.691162  0.565393  1
  Ni  Ni75  1  0.504061  0.973209  0.527271  1
  Ni  Ni76  1  0.504061  0.523267  0.566148  1
  Ni  Ni77  1  0.504061  0.866685  0.507373  1
  Ni  Ni78  1  0.504061  0.416807  0.546204  1
  Ni  Ni79  1  1.004061  0.698840  0.508154  1
  Ni  Ni80  1  1.004061  0.248546  0.546577  1
  Ni  Ni81  1  1.004061  0.240825  0.603533  1
  Ni  Ni82  1  1.004061  0.790609  0.642726  1
  Ni  Ni83  1  0.504061  0.072104  0.604143  1
  Ni  Ni84  1  0.504061  0.621342  0.643534  1
  Ni  Ni85  1  0.504061  0.965568  0.584465  1
  Ni  Ni86  1  0.504061  0.515619  0.623664  1
  Ni  Ni87  1  1.004061  0.797927  0.585292  1
  Ni  Ni88  1  1.004061  0.347185  0.623628  1
  Ni  Ni89  1  1.004061  0.339254  0.680900  1
  Ni  Ni90  1  1.004061  0.890450  0.719082  1
  Ni  Ni91  1  0.504061  0.172006  0.680436  1
  Ni  Ni92  1  0.504061  0.721015  0.718555  1
  Ni  Ni93  1  0.504061  0.064803  0.661841  1
  Ni  Ni94  1  0.504061  0.616041  0.700472  1
  Ni  Ni95  1  1.004061  0.897325  0.662826  1
  Ni  Ni96  1  1.004061  0.446618  0.700602  1
