# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56764985
_cell_length_b   10.53710320
_cell_length_c   47.21977685
_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   1775.1186519
_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  0.503408  0.192065  0.313734  1
  Zr  Zr2  1  1.003408  0.452503  0.334503  1
  Zr  Zr3  1  1.003408  0.628933  0.278668  1
  Zr  Zr4  1  0.503408  0.890629  0.296949  1
  Zr  Zr5  1  0.503408  0.326771  0.390331  1
  Zr  Zr6  1  1.003408  0.589449  0.411457  1
  Zr  Zr7  1  1.003408  0.759017  0.351308  1
  Zr  Zr8  1  0.503408  0.020744  0.372580  1
  Zr  Zr9  1  0.503408  0.463776  0.467307  1
  Zr  Zr10  1  1.003408  0.726036  0.488470  1
  Zr  Zr11  1  1.003408  0.895694  0.428658  1
  Zr  Zr12  1  0.503408  0.157536  0.450021  1
  Zr  Zr13  1  0.503408  0.600426  0.544355  1
  Zr  Zr14  1  1.003408  0.862267  0.565718  1
  Zr  Zr15  1  1.003408  0.031925  0.505907  1
  Zr  Zr16  1  0.503408  0.294185  0.527069  1
  Zr  Zr17  1  0.503408  0.737217  0.621796  1
  Zr  Zr18  1  1.003408  0.998944  0.643068  1
  Zr  Zr19  1  1.003408  0.168513  0.582920  1
  Zr  Zr20  1  0.503408  0.431190  0.604045  1
  Zr  Zr21  1  0.503408  0.867332  0.697427  1
  Zr  Zr22  1  1.003408  0.129029  0.715709  1
  Zr  Zr23  1  1.003408  0.305459  0.659873  1
  Zr  Zr24  1  0.503408  0.565897  0.680642  1
  Ni  Ni25  1  0.503408  0.437335  0.290239  1
  Ni  Ni26  1  1.003408  0.073638  0.278887  1
  Ni  Ni27  1  1.003408  0.006495  0.329412  1
  Ni  Ni28  1  0.503408  0.641079  0.318033  1
  Ni  Ni29  1  0.503408  0.571119  0.368615  1
  Ni  Ni30  1  1.003408  0.209046  0.355981  1
  Ni  Ni31  1  1.003408  0.139556  0.406881  1
  Ni  Ni32  1  0.503408  0.776759  0.394678  1
  Ni  Ni33  1  0.503408  0.708293  0.445392  1
  Ni  Ni34  1  1.003408  0.344905  0.433318  1
  Ni  Ni35  1  1.003408  0.276316  0.484035  1
  Ni  Ni36  1  0.503408  0.913304  0.471796  1
  Ni  Ni37  1  0.503408  0.844657  0.522581  1
  Ni  Ni38  1  1.003408  0.481645  0.510342  1
  Ni  Ni39  1  1.003408  0.413057  0.561058  1
  Ni  Ni40  1  0.503408  0.049668  0.548985  1
  Ni  Ni41  1  0.503408  0.981202  0.599699  1
  Ni  Ni42  1  1.003408  0.618405  0.587495  1
  Ni  Ni43  1  1.003408  0.548915  0.638395  1
  Ni  Ni44  1  0.503408  0.186842  0.625762  1
  Ni  Ni45  1  0.503408  0.116882  0.676343  1
  Ni  Ni46  1  1.003408  0.751466  0.664965  1
  Ni  Ni47  1  1.003408  0.684323  0.715489  1
  Ni  Ni48  1  0.503408  0.320627  0.704137  1
