# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46321410
_cell_length_b   5.26098036
_cell_length_c   45.74862247
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.52428149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr32 Ni32'
_cell_volume   2448.98133664
_cell_formula_units_Z   32
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  0.239847  0.231430  0.328811  1
  Zr  Zr2  1  0.520747  0.056533  0.288878  1
  Zr  Zr3  1  0.739847  0.231430  0.328811  1
  Zr  Zr4  1  0.020747  0.056533  0.288878  1
  Zr  Zr5  1  0.175733  0.792410  0.382429  1
  Zr  Zr6  1  0.450720  0.630282  0.339237  1
  Zr  Zr7  1  0.675733  0.792410  0.382429  1
  Zr  Zr8  1  0.950720  0.630282  0.339237  1
  Zr  Zr9  1  0.108016  0.362398  0.439192  1
  Zr  Zr10  1  0.384192  0.197208  0.395942  1
  Zr  Zr11  1  0.608016  0.362398  0.439192  1
  Zr  Zr12  1  0.884192  0.197208  0.395942  1
  Zr  Zr13  1  0.041070  0.929818  0.494709  1
  Zr  Zr14  1  0.317009  0.765039  0.451415  1
  Zr  Zr15  1  0.541070  0.929818  0.494709  1
  Zr  Zr16  1  0.817009  0.765039  0.451415  1
  Zr  Zr17  1  0.974465  0.498359  0.550679  1
  Zr  Zr18  1  0.250403  0.333581  0.507385  1
  Zr  Zr19  1  0.474465  0.498359  0.550679  1
  Zr  Zr20  1  0.750403  0.333581  0.507385  1
  Zr  Zr21  1  0.907282  0.066191  0.606151  1
  Zr  Zr22  1  0.183457  0.901001  0.562902  1
  Zr  Zr23  1  0.407282  0.066191  0.606151  1
  Zr  Zr24  1  0.683457  0.901001  0.562902  1
  Zr  Zr25  1  0.840753  0.633117  0.662856  1
  Zr  Zr26  1  0.115740  0.470988  0.619665  1
  Zr  Zr27  1  0.340753  0.633117  0.662856  1
  Zr  Zr28  1  0.615740  0.470988  0.619665  1
  Zr  Zr29  1  0.770726  0.206866  0.713216  1
  Zr  Zr30  1  0.051626  0.031969  0.673283  1
  Zr  Zr31  1  0.270726  0.206866  0.713216  1
  Zr  Zr32  1  0.551626  0.031969  0.673283  1
  Ni  Ni33  1  0.575082  0.523160  0.287331  1
  Ni  Ni34  1  0.186545  0.751632  0.323727  1
  Ni  Ni35  1  0.075082  0.523160  0.287331  1
  Ni  Ni36  1  0.686545  0.751632  0.323727  1
  Ni  Ni37  1  0.505388  0.106694  0.343605  1
  Ni  Ni38  1  0.120137  0.320317  0.380339  1
  Ni  Ni39  1  0.005388  0.106694  0.343605  1
  Ni  Ni40  1  0.620137  0.320317  0.380339  1
  Ni  Ni41  1  0.438196  0.671766  0.398983  1
  Ni  Ni42  1  0.053727  0.886843  0.435501  1
  Ni  Ni43  1  0.938196  0.671766  0.398983  1
  Ni  Ni44  1  0.553727  0.886843  0.435501  1
  Ni  Ni45  1  0.372076  0.239610  0.454829  1
  Ni  Ni46  1  0.986513  0.455383  0.491594  1
  Ni  Ni47  1  0.872076  0.239610  0.454829  1
  Ni  Ni48  1  0.486513  0.455383  0.491594  1
  Ni  Ni49  1  0.304960  0.808016  0.510500  1
  Ni  Ni50  1  0.919398  0.023788  0.547265  1
  Ni  Ni51  1  0.804960  0.808016  0.510500  1
  Ni  Ni52  1  0.419398  0.023788  0.547265  1
  Ni  Ni53  1  0.237747  0.376555  0.566593  1
  Ni  Ni54  1  0.853277  0.591633  0.603111  1
  Ni  Ni55  1  0.737747  0.376555  0.566593  1
  Ni  Ni56  1  0.353277  0.591633  0.603111  1
  Ni  Ni57  1  0.171336  0.943082  0.621754  1
  Ni  Ni58  1  0.786085  0.156705  0.658489  1
  Ni  Ni59  1  0.671336  0.943082  0.621754  1
  Ni  Ni60  1  0.286085  0.156705  0.658489  1
  Ni  Ni61  1  0.104929  0.511767  0.678366  1
  Ni  Ni62  1  0.716391  0.740239  0.714762  1
  Ni  Ni63  1  0.604929  0.511767  0.678366  1
  Ni  Ni64  1  0.216391  0.740239  0.714762  1
