# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23279273
_cell_length_b   9.07388533
_cell_length_c   51.03083067
_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   2423.03371622
_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  0.504991  0.670707  0.356084  1
  Zr  Zr2  1  0.504991  1.000767  0.326163  1
  Zr  Zr3  1  1.004991  0.840647  0.326163  1
  Zr  Zr4  1  1.004991  0.170707  0.294342  1
  Zr  Zr5  1  1.004991  0.170707  0.356084  1
  Zr  Zr6  1  1.004991  0.500767  0.326163  1
  Zr  Zr7  1  0.504991  0.340647  0.326163  1
  Zr  Zr8  1  0.504991  0.670707  0.294342  1
  Zr  Zr9  1  0.504991  0.170707  0.447687  1
  Zr  Zr10  1  0.504991  0.502128  0.416981  1
  Zr  Zr11  1  1.004991  0.339286  0.416981  1
  Zr  Zr12  1  1.004991  0.670707  0.385932  1
  Zr  Zr13  1  1.004991  0.670707  0.447687  1
  Zr  Zr14  1  1.004991  1.002128  0.416981  1
  Zr  Zr15  1  0.504991  0.839286  0.416981  1
  Zr  Zr16  1  0.504991  0.170707  0.385932  1
  Zr  Zr17  1  0.504991  0.670707  0.538730  1
  Zr  Zr18  1  0.504991  1.001708  0.507912  1
  Zr  Zr19  1  1.004991  0.839706  0.507912  1
  Zr  Zr20  1  1.004991  0.170707  0.477117  1
  Zr  Zr21  1  1.004991  0.170707  0.538730  1
  Zr  Zr22  1  1.004991  0.501708  0.507912  1
  Zr  Zr23  1  0.504991  0.339706  0.507912  1
  Zr  Zr24  1  0.504991  0.670707  0.477117  1
  Zr  Zr25  1  0.504991  0.170707  0.629966  1
  Zr  Zr26  1  0.504991  0.502104  0.598971  1
  Zr  Zr27  1  1.004991  0.339310  0.598971  1
  Zr  Zr28  1  1.004991  0.670707  0.568243  1
  Zr  Zr29  1  1.004991  0.670707  0.629966  1
  Zr  Zr30  1  1.004991  1.002104  0.598971  1
  Zr  Zr31  1  0.504991  0.839310  0.598971  1
  Zr  Zr32  1  0.504991  0.170707  0.568243  1
  Zr  Zr33  1  0.504991  0.670707  0.719203  1
  Zr  Zr34  1  0.504991  1.002774  0.690327  1
  Zr  Zr35  1  1.004991  0.838640  0.690327  1
  Zr  Zr36  1  1.004991  0.170707  0.660479  1
  Zr  Zr37  1  1.004991  0.170707  0.719203  1
  Zr  Zr38  1  1.004991  0.502774  0.690327  1
  Zr  Zr39  1  0.504991  0.338640  0.690327  1
  Zr  Zr40  1  0.504991  0.670707  0.660479  1
  Ni  Ni41  1  0.754991  0.920707  0.282024  1
  Ni  Ni42  1  0.254991  0.920707  0.282024  1
  Ni  Ni43  1  0.254991  0.420707  0.282024  1
  Ni  Ni44  1  0.754991  0.420707  0.282024  1
  Ni  Ni45  1  0.754991  0.420707  0.372150  1
  Ni  Ni46  1  0.254991  0.420707  0.372150  1
  Ni  Ni47  1  0.254991  0.920707  0.372150  1
  Ni  Ni48  1  0.754991  0.920707  0.372150  1
  Ni  Ni49  1  0.754991  0.920707  0.462476  1
  Ni  Ni50  1  0.254991  0.920707  0.462476  1
  Ni  Ni51  1  0.254991  0.420707  0.462476  1
  Ni  Ni52  1  0.754991  0.420707  0.462476  1
  Ni  Ni53  1  0.754991  0.420707  0.553357  1
  Ni  Ni54  1  0.254991  0.420707  0.553357  1
  Ni  Ni55  1  0.254991  0.920707  0.553357  1
  Ni  Ni56  1  0.754991  0.920707  0.553357  1
  Ni  Ni57  1  0.754991  0.920707  0.644753  1
  Ni  Ni58  1  0.254991  0.920707  0.644753  1
  Ni  Ni59  1  0.254991  0.420707  0.644753  1
  Ni  Ni60  1  0.754991  0.420707  0.644753  1
