# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14273965
_cell_length_b   13.00024099
_cell_length_c   48.58615749
_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   'Zr28 Ni28'
_cell_volume   1985.05416198
_cell_formula_units_Z   28
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  1.002692  0.599351  0.297384  1
  Zr  Zr2  1  0.502692  0.834016  0.300838  1
  Zr  Zr3  1  0.502692  0.099351  0.297384  1
  Zr  Zr4  1  1.002692  0.334016  0.300838  1
  Zr  Zr5  1  1.002692  0.814747  0.363062  1
  Zr  Zr6  1  0.502692  0.049098  0.366715  1
  Zr  Zr7  1  0.502692  0.314747  0.363062  1
  Zr  Zr8  1  1.002692  0.549098  0.366715  1
  Zr  Zr9  1  1.002692  0.029303  0.429937  1
  Zr  Zr10  1  0.502692  0.263661  0.433369  1
  Zr  Zr11  1  0.502692  0.529303  0.429937  1
  Zr  Zr12  1  1.002692  0.763661  0.433369  1
  Zr  Zr13  1  1.002692  0.243907  0.496693  1
  Zr  Zr14  1  0.502692  0.478294  0.500213  1
  Zr  Zr15  1  0.502692  0.743907  0.496693  1
  Zr  Zr16  1  1.002692  0.978294  0.500213  1
  Zr  Zr17  1  1.002692  0.458540  0.563536  1
  Zr  Zr18  1  0.502692  0.692898  0.566968  1
  Zr  Zr19  1  0.502692  0.958540  0.563536  1
  Zr  Zr20  1  1.002692  0.192898  0.566968  1
  Zr  Zr21  1  1.002692  0.673104  0.630190  1
  Zr  Zr22  1  0.502692  0.907455  0.633843  1
  Zr  Zr23  1  0.502692  0.173104  0.630190  1
  Zr  Zr24  1  1.002692  0.407455  0.633843  1
  Zr  Zr25  1  1.002692  0.888185  0.696068  1
  Zr  Zr26  1  0.502692  0.122851  0.699521  1
  Zr  Zr27  1  0.502692  0.388185  0.696068  1
  Zr  Zr28  1  1.002692  0.622851  0.699521  1
  Ni  Ni29  1  1.002692  0.974160  0.325262  1
  Ni  Ni30  1  0.502692  0.461324  0.271218  1
  Ni  Ni31  1  0.502692  0.474160  0.325262  1
  Ni  Ni32  1  1.002692  0.961324  0.271218  1
  Ni  Ni33  1  1.002692  0.189385  0.392361  1
  Ni  Ni34  1  0.502692  0.674813  0.337123  1
  Ni  Ni35  1  0.502692  0.689385  0.392361  1
  Ni  Ni36  1  1.002692  0.174813  0.337123  1
  Ni  Ni37  1  1.002692  0.403733  0.459146  1
  Ni  Ni38  1  0.502692  0.889263  0.404255  1
  Ni  Ni39  1  0.502692  0.903733  0.459146  1
  Ni  Ni40  1  1.002692  0.389263  0.404255  1
  Ni  Ni41  1  1.002692  0.618381  0.525919  1
  Ni  Ni42  1  0.502692  0.103820  0.470986  1
  Ni  Ni43  1  0.502692  0.118381  0.525919  1
  Ni  Ni44  1  1.002692  0.603820  0.470986  1
  Ni  Ni45  1  1.002692  0.832939  0.592650  1
  Ni  Ni46  1  0.502692  0.318468  0.537759  1
  Ni  Ni47  1  0.502692  0.332939  0.592650  1
  Ni  Ni48  1  1.002692  0.818468  0.537759  1
  Ni  Ni49  1  1.002692  0.047389  0.659782  1
  Ni  Ni50  1  0.502692  0.532817  0.604545  1
  Ni  Ni51  1  0.502692  0.547389  0.659782  1
  Ni  Ni52  1  1.002692  0.032817  0.604545  1
  Ni  Ni53  1  1.002692  0.260877  0.725687  1
  Ni  Ni54  1  0.502692  0.748042  0.671644  1
  Ni  Ni55  1  0.502692  0.760877  0.725687  1
  Ni  Ni56  1  1.002692  0.248042  0.671644  1
