# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39942544
_cell_length_b   6.39942544
_cell_length_c   48.23089664
_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   'Zr32 Ni16'
_cell_volume   1975.18283279
_cell_formula_units_Z   16
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  0.837864  0.337864  0.344488  1
  Zr  Zr2  1  0.337864  0.172860  0.344488  1
  Zr  Zr3  1  0.182250  0.328474  0.288670  1
  Zr  Zr4  1  0.682250  0.182250  0.288670  1
  Zr  Zr5  1  0.328474  0.828474  0.288670  1
  Zr  Zr6  1  0.828474  0.682250  0.288670  1
  Zr  Zr7  1  0.672860  0.837864  0.344488  1
  Zr  Zr8  1  0.172860  0.672860  0.344488  1
  Zr  Zr9  1  0.835023  0.335023  0.456239  1
  Zr  Zr10  1  0.335023  0.175701  0.456239  1
  Zr  Zr11  1  0.175785  0.334939  0.400685  1
  Zr  Zr12  1  0.675785  0.175785  0.400685  1
  Zr  Zr13  1  0.334939  0.834939  0.400685  1
  Zr  Zr14  1  0.834939  0.675785  0.400685  1
  Zr  Zr15  1  0.675701  0.835023  0.456239  1
  Zr  Zr16  1  0.175701  0.675701  0.456239  1
  Zr  Zr17  1  0.835028  0.335028  0.567446  1
  Zr  Zr18  1  0.335028  0.175696  0.567446  1
  Zr  Zr19  1  0.175604  0.335120  0.511818  1
  Zr  Zr20  1  0.675604  0.175604  0.511818  1
  Zr  Zr21  1  0.335120  0.835120  0.511818  1
  Zr  Zr22  1  0.835120  0.675604  0.511818  1
  Zr  Zr23  1  0.675696  0.835028  0.567446  1
  Zr  Zr24  1  0.175696  0.675696  0.567446  1
  Zr  Zr25  1  0.829407  0.329407  0.679152  1
  Zr  Zr26  1  0.329407  0.181317  0.679152  1
  Zr  Zr27  1  0.174552  0.336171  0.623171  1
  Zr  Zr28  1  0.674552  0.174552  0.623171  1
  Zr  Zr29  1  0.336171  0.836171  0.623171  1
  Zr  Zr30  1  0.836171  0.674552  0.623171  1
  Zr  Zr31  1  0.681317  0.829407  0.679152  1
  Zr  Zr32  1  0.181317  0.681317  0.679152  1
  Ni  Ni33  1  0.505362  0.505362  0.317761  1
  Ni  Ni34  1  0.505362  0.505362  0.373421  1
  Ni  Ni35  1  1.005362  0.005362  0.373421  1
  Ni  Ni36  1  1.005362  0.005362  0.317761  1
  Ni  Ni37  1  0.505362  0.505362  0.428622  1
  Ni  Ni38  1  0.505362  0.505362  0.484011  1
  Ni  Ni39  1  1.005362  0.005362  0.484011  1
  Ni  Ni40  1  1.005362  0.005362  0.428622  1
  Ni  Ni41  1  0.505362  0.505362  0.539280  1
  Ni  Ni42  1  0.505362  0.505362  0.594244  1
  Ni  Ni43  1  1.005362  0.005362  0.594244  1
  Ni  Ni44  1  1.005362  0.005362  0.539280  1
  Ni  Ni45  1  0.505362  0.505362  0.650040  1
  Ni  Ni46  1  0.505362  0.505362  0.703662  1
  Ni  Ni47  1  1.005362  0.005362  0.703662  1
  Ni  Ni48  1  1.005362  0.005362  0.650040  1
