# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82163340
_cell_length_b   10.44261113
_cell_length_c   47.60667610
_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   'Zr24 Ni24'
_cell_volume   1899.87920893
_cell_formula_units_Z   24
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  0.258091  0.791403  0.342412  1
  Zr  Zr2  1  0.758091  0.643368  0.294591  1
  Zr  Zr3  1  0.258091  0.291403  0.342412  1
  Zr  Zr4  1  0.758091  0.143368  0.294591  1
  Zr  Zr5  1  0.258091  0.672973  0.414450  1
  Zr  Zr6  1  0.758091  0.534569  0.362545  1
  Zr  Zr7  1  0.258091  0.172973  0.414450  1
  Zr  Zr8  1  0.758091  0.034569  0.362545  1
  Zr  Zr9  1  0.258091  0.555051  0.486151  1
  Zr  Zr10  1  0.758091  0.416470  0.434443  1
  Zr  Zr11  1  0.258091  0.055051  0.486151  1
  Zr  Zr12  1  0.758091  0.916470  0.434443  1
  Zr  Zr13  1  0.258091  0.436874  0.557716  1
  Zr  Zr14  1  0.758091  0.298292  0.506008  1
  Zr  Zr15  1  0.258091  0.936874  0.557716  1
  Zr  Zr16  1  0.758091  0.798292  0.506008  1
  Zr  Zr17  1  0.258091  0.318775  0.629614  1
  Zr  Zr18  1  0.758091  0.180371  0.577709  1
  Zr  Zr19  1  0.258091  0.818775  0.629614  1
  Zr  Zr20  1  0.758091  0.680371  0.577709  1
  Zr  Zr21  1  0.258091  0.209976  0.697568  1
  Zr  Zr22  1  0.758091  0.061941  0.649747  1
  Zr  Zr23  1  0.258091  0.709976  0.697568  1
  Zr  Zr24  1  0.758091  0.561941  0.649747  1
  Ni  Ni25  1  0.258091  0.539415  0.322947  1
  Ni  Ni26  1  0.758091  0.896660  0.310509  1
  Ni  Ni27  1  0.258091  0.039415  0.322947  1
  Ni  Ni28  1  0.758091  0.396660  0.310509  1
  Ni  Ni29  1  0.258091  0.423568  0.394600  1
  Ni  Ni30  1  0.758091  0.784493  0.382814  1
  Ni  Ni31  1  0.258091  0.923568  0.394600  1
  Ni  Ni32  1  0.758091  0.284493  0.382814  1
  Ni  Ni33  1  0.258091  0.305851  0.465912  1
  Ni  Ni34  1  0.758091  0.665580  0.454498  1
  Ni  Ni35  1  0.258091  0.805851  0.465912  1
  Ni  Ni36  1  0.758091  0.165580  0.454498  1
  Ni  Ni37  1  0.258091  0.187764  0.537660  1
  Ni  Ni38  1  0.758091  0.547493  0.526246  1
  Ni  Ni39  1  0.258091  0.687764  0.537660  1
  Ni  Ni40  1  0.758091  0.047493  0.526246  1
  Ni  Ni41  1  0.258091  0.068851  0.609345  1
  Ni  Ni42  1  0.758091  0.429776  0.597558  1
  Ni  Ni43  1  0.258091  0.568851  0.609345  1
  Ni  Ni44  1  0.758091  0.929776  0.597558  1
  Ni  Ni45  1  0.258091  0.956684  0.681650  1
  Ni  Ni46  1  0.758091  0.313929  0.669212  1
  Ni  Ni47  1  0.258091  0.456684  0.681650  1
  Ni  Ni48  1  0.758091  0.813929  0.669212  1
