# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26884260
_cell_length_b   13.61376671
_cell_length_c   45.47674630
_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   'Zr36 Ni36'
_cell_volume   2642.88235365
_cell_formula_units_Z   36
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  0.750575  0.474310  0.281023  1
  Zr  Zr2  1  0.250575  0.114165  0.320423  1
  Zr  Zr3  1  0.750575  0.974310  0.281023  1
  Zr  Zr4  1  0.250575  0.614165  0.320423  1
  Zr  Zr5  1  0.750575  0.310503  0.329530  1
  Zr  Zr6  1  0.250575  0.954278  0.370939  1
  Zr  Zr7  1  0.750575  0.810503  0.329530  1
  Zr  Zr8  1  0.250575  0.454278  0.370939  1
  Zr  Zr9  1  0.750575  0.149258  0.378185  1
  Zr  Zr10  1  0.250575  0.793782  0.421203  1
  Zr  Zr11  1  0.750575  0.649258  0.378185  1
  Zr  Zr12  1  0.250575  0.293782  0.421203  1
  Zr  Zr13  1  0.750575  0.989565  0.430062  1
  Zr  Zr14  1  0.250575  0.633411  0.471198  1
  Zr  Zr15  1  0.750575  0.489565  0.430062  1
  Zr  Zr16  1  0.250575  0.133411  0.471198  1
  Zr  Zr17  1  0.750575  0.828690  0.479917  1
  Zr  Zr18  1  0.250575  0.473322  0.521746  1
  Zr  Zr19  1  0.750575  0.328690  0.479917  1
  Zr  Zr20  1  0.250575  0.973322  0.521746  1
  Zr  Zr21  1  0.750575  0.668601  0.530465  1
  Zr  Zr22  1  0.250575  0.312447  0.571601  1
  Zr  Zr23  1  0.750575  0.168601  0.530465  1
  Zr  Zr24  1  0.250575  0.812447  0.571601  1
  Zr  Zr25  1  0.750575  0.508231  0.580460  1
  Zr  Zr26  1  0.250575  0.152754  0.623478  1
  Zr  Zr27  1  0.750575  0.008231  0.580460  1
  Zr  Zr28  1  0.250575  0.652754  0.623478  1
  Zr  Zr29  1  0.750575  0.347735  0.630724  1
  Zr  Zr30  1  0.250575  0.991509  0.672133  1
  Zr  Zr31  1  0.750575  0.847735  0.630724  1
  Zr  Zr32  1  0.250575  0.491509  0.672133  1
  Zr  Zr33  1  0.750575  0.187847  0.681240  1
  Zr  Zr34  1  0.250575  0.827703  0.720640  1
  Zr  Zr35  1  0.750575  0.687847  0.681240  1
  Zr  Zr36  1  0.250575  0.327703  0.720640  1
  Ni  Ni37  1  0.750575  0.157915  0.292807  1
  Ni  Ni38  1  0.250575  0.415103  0.313746  1
  Ni  Ni39  1  0.750575  0.657915  0.292807  1
  Ni  Ni40  1  0.250575  0.915103  0.313746  1
  Ni  Ni41  1  0.750575  0.005256  0.336220  1
  Ni  Ni42  1  0.250575  0.259905  0.362778  1
  Ni  Ni43  1  0.750575  0.505256  0.336220  1
  Ni  Ni44  1  0.250575  0.759905  0.362778  1
  Ni  Ni45  1  0.750575  0.843414  0.387346  1
  Ni  Ni46  1  0.250575  0.099091  0.413413  1
  Ni  Ni47  1  0.750575  0.343414  0.387346  1
  Ni  Ni48  1  0.250575  0.599091  0.413413  1
  Ni  Ni49  1  0.750575  0.684492  0.436729  1
  Ni  Ni50  1  0.250575  0.938645  0.463926  1
  Ni  Ni51  1  0.750575  0.184492  0.436729  1
  Ni  Ni52  1  0.250575  0.438645  0.463926  1
  Ni  Ni53  1  0.750575  0.523511  0.488135  1
  Ni  Ni54  1  0.250575  0.778501  0.513527  1
  Ni  Ni55  1  0.750575  0.023511  0.488135  1
  Ni  Ni56  1  0.250575  0.278501  0.513527  1
  Ni  Ni57  1  0.750575  0.363367  0.537736  1
  Ni  Ni58  1  0.250575  0.617521  0.564933  1
  Ni  Ni59  1  0.750575  0.863367  0.537736  1
  Ni  Ni60  1  0.250575  0.117521  0.564933  1
  Ni  Ni61  1  0.750575  0.202921  0.588249  1
  Ni  Ni62  1  0.250575  0.458599  0.614316  1
  Ni  Ni63  1  0.750575  0.702921  0.588249  1
  Ni  Ni64  1  0.250575  0.958599  0.614316  1
  Ni  Ni65  1  0.750575  0.042108  0.638885  1
  Ni  Ni66  1  0.250575  0.296756  0.665442  1
  Ni  Ni67  1  0.750575  0.542108  0.638885  1
  Ni  Ni68  1  0.250575  0.796756  0.665442  1
  Ni  Ni69  1  0.750575  0.886909  0.687917  1
  Ni  Ni70  1  0.250575  0.144097  0.708856  1
  Ni  Ni71  1  0.750575  0.386909  0.687917  1
  Ni  Ni72  1  0.250575  0.644097  0.708856  1
