# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45879704
_cell_length_b   5.33653982
_cell_length_c   51.89146494
_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   1788.57568847
_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  0.833862  0.001066  0.301037  1
  Zr  Zr2  1  0.168779  0.501066  0.301037  1
  Zr  Zr3  1  0.338946  0.001066  0.280315  1
  Zr  Zr4  1  0.663695  0.501066  0.280315  1
  Zr  Zr5  1  0.332612  0.501066  0.363409  1
  Zr  Zr6  1  0.670028  0.001066  0.363409  1
  Zr  Zr7  1  0.831846  0.501066  0.342898  1
  Zr  Zr8  1  0.170795  0.001066  0.342898  1
  Zr  Zr9  1  0.832550  0.001066  0.426002  1
  Zr  Zr10  1  0.170091  0.501066  0.426002  1
  Zr  Zr11  1  0.332616  0.001066  0.405457  1
  Zr  Zr12  1  0.670025  0.501066  0.405457  1
  Zr  Zr13  1  0.332525  0.501066  0.488593  1
  Zr  Zr14  1  0.670116  0.001066  0.488593  1
  Zr  Zr15  1  0.832540  0.501066  0.468032  1
  Zr  Zr16  1  0.170101  0.001066  0.468032  1
  Zr  Zr17  1  0.832481  0.001066  0.551179  1
  Zr  Zr18  1  0.170159  0.501066  0.551179  1
  Zr  Zr19  1  0.332531  0.001066  0.530617  1
  Zr  Zr20  1  0.670110  0.501066  0.530617  1
  Zr  Zr21  1  0.332433  0.501066  0.613794  1
  Zr  Zr22  1  0.670208  0.001066  0.613794  1
  Zr  Zr23  1  0.832521  0.501066  0.593186  1
  Zr  Zr24  1  0.170120  0.001066  0.593186  1
  Zr  Zr25  1  0.833789  0.001066  0.676501  1
  Zr  Zr26  1  0.168852  0.501066  0.676501  1
  Zr  Zr27  1  0.331734  0.001066  0.655752  1
  Zr  Zr28  1  0.670907  0.501066  0.655752  1
  Zr  Zr29  1  0.350282  0.501066  0.737622  1
  Zr  Zr30  1  0.652359  0.001066  0.737622  1
  Zr  Zr31  1  0.837512  0.501066  0.718290  1
  Zr  Zr32  1  0.165129  0.001066  0.718290  1
  Ni  Ni33  1  0.001320  0.751066  0.260688  1
  Ni  Ni34  1  0.001320  0.251066  0.260688  1
  Ni  Ni35  1  0.501320  0.251066  0.321719  1
  Ni  Ni36  1  0.501320  0.751066  0.321719  1
  Ni  Ni37  1  0.001320  0.751066  0.384428  1
  Ni  Ni38  1  0.001320  0.251066  0.384428  1
  Ni  Ni39  1  0.501320  0.251066  0.447025  1
  Ni  Ni40  1  0.501320  0.751066  0.447025  1
  Ni  Ni41  1  0.001320  0.751066  0.509605  1
  Ni  Ni42  1  0.001320  0.251066  0.509605  1
  Ni  Ni43  1  0.501320  0.251066  0.572207  1
  Ni  Ni44  1  0.501320  0.751066  0.572207  1
  Ni  Ni45  1  0.001320  0.751066  0.634794  1
  Ni  Ni46  1  0.001320  0.251066  0.634794  1
  Ni  Ni47  1  0.501320  0.251066  0.697280  1
  Ni  Ni48  1  0.501320  0.751066  0.697280  1
