# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30872168
_cell_length_b   9.13009452
_cell_length_c   50.63426965
_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   2454.19903685
_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  0.003692  0.168208  0.360798  1
  Zr  Zr2  1  0.503692  0.999275  0.330627  1
  Zr  Zr3  1  0.003692  0.837142  0.330627  1
  Zr  Zr4  1  0.503692  0.668208  0.299411  1
  Zr  Zr5  1  0.503692  0.668208  0.360798  1
  Zr  Zr6  1  0.003692  0.499275  0.330627  1
  Zr  Zr7  1  0.503692  0.337142  0.330627  1
  Zr  Zr8  1  0.003692  0.168208  0.299411  1
  Zr  Zr9  1  0.003692  0.668208  0.452163  1
  Zr  Zr10  1  0.503692  0.500160  0.421503  1
  Zr  Zr11  1  0.003692  0.336256  0.421503  1
  Zr  Zr12  1  0.503692  0.168208  0.390808  1
  Zr  Zr13  1  0.503692  0.168208  0.452163  1
  Zr  Zr14  1  0.003692  1.000160  0.421503  1
  Zr  Zr15  1  0.503692  0.836256  0.421503  1
  Zr  Zr16  1  0.003692  0.668208  0.390808  1
  Zr  Zr17  1  0.003692  0.168208  0.543180  1
  Zr  Zr18  1  0.503692  0.999971  0.512542  1
  Zr  Zr19  1  0.003692  0.836445  0.512542  1
  Zr  Zr20  1  0.503692  0.668208  0.481905  1
  Zr  Zr21  1  0.503692  0.668208  0.543180  1
  Zr  Zr22  1  0.003692  0.499971  0.512542  1
  Zr  Zr23  1  0.503692  0.336445  0.512542  1
  Zr  Zr24  1  0.003692  0.168208  0.481905  1
  Zr  Zr25  1  0.003692  0.668208  0.634328  1
  Zr  Zr26  1  0.503692  0.500258  0.603533  1
  Zr  Zr27  1  0.003692  0.336158  0.603533  1
  Zr  Zr28  1  0.503692  0.168208  0.572961  1
  Zr  Zr29  1  0.503692  0.168208  0.634328  1
  Zr  Zr30  1  0.003692  1.000258  0.603533  1
  Zr  Zr31  1  0.503692  0.836158  0.603533  1
  Zr  Zr32  1  0.003692  0.668208  0.572961  1
  Zr  Zr33  1  0.003692  0.168208  0.723302  1
  Zr  Zr34  1  0.503692  1.000580  0.694533  1
  Zr  Zr35  1  0.003692  0.835836  0.694533  1
  Zr  Zr36  1  0.503692  0.668208  0.664647  1
  Zr  Zr37  1  0.503692  0.668208  0.723302  1
  Zr  Zr38  1  0.003692  0.500580  0.694533  1
  Zr  Zr39  1  0.503692  0.335836  0.694533  1
  Zr  Zr40  1  0.003692  0.168208  0.664647  1
  Ni  Ni41  1  0.253692  0.418208  0.285925  1
  Ni  Ni42  1  0.753692  0.418208  0.285925  1
  Ni  Ni43  1  0.753692  0.918208  0.285925  1
  Ni  Ni44  1  0.253692  0.918208  0.285925  1
  Ni  Ni45  1  0.253692  0.918208  0.376227  1
  Ni  Ni46  1  0.753692  0.918208  0.376227  1
  Ni  Ni47  1  0.753692  0.418208  0.376227  1
  Ni  Ni48  1  0.253692  0.418208  0.376227  1
  Ni  Ni49  1  0.253692  0.418208  0.467016  1
  Ni  Ni50  1  0.753692  0.418208  0.467016  1
  Ni  Ni51  1  0.753692  0.918208  0.467016  1
  Ni  Ni52  1  0.253692  0.918208  0.467016  1
  Ni  Ni53  1  0.253692  0.918208  0.558070  1
  Ni  Ni54  1  0.753692  0.918208  0.558070  1
  Ni  Ni55  1  0.753692  0.418208  0.558070  1
  Ni  Ni56  1  0.253692  0.418208  0.558070  1
  Ni  Ni57  1  0.253692  0.418208  0.649176  1
  Ni  Ni58  1  0.753692  0.418208  0.649176  1
  Ni  Ni59  1  0.753692  0.918208  0.649176  1
  Ni  Ni60  1  0.253692  0.918208  0.649176  1
