# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13554364
_cell_length_b   4.27524808
_cell_length_c   59.32945485
_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   'Zr12 Ni12'
_cell_volume   795.324804667
_cell_formula_units_Z   12
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  1.003846  0.749825  0.308153  1
  Zr  Zr2  1  0.503846  0.249825  0.272334  1
  Zr  Zr3  1  0.503846  0.749825  0.392009  1
  Zr  Zr4  1  1.003846  0.249825  0.354782  1
  Zr  Zr5  1  1.003846  0.749825  0.475395  1
  Zr  Zr6  1  0.503846  0.249825  0.438169  1
  Zr  Zr7  1  0.503846  0.749825  0.558814  1
  Zr  Zr8  1  1.003846  0.249825  0.521587  1
  Zr  Zr9  1  1.003846  0.749825  0.642201  1
  Zr  Zr10  1  0.503846  0.249825  0.604974  1
  Zr  Zr11  1  0.503846  0.749825  0.724648  1
  Zr  Zr12  1  1.003846  0.249825  0.688830  1
  Ni  Ni13  1  1.003846  0.749825  0.262101  1
  Ni  Ni14  1  0.503846  0.249825  0.318140  1
  Ni  Ni15  1  0.503846  0.749825  0.345221  1
  Ni  Ni16  1  1.003846  0.249825  0.401538  1
  Ni  Ni17  1  1.003846  0.749825  0.428601  1
  Ni  Ni18  1  0.503846  0.249825  0.484987  1
  Ni  Ni19  1  0.503846  0.749825  0.511995  1
  Ni  Ni20  1  1.003846  0.249825  0.568381  1
  Ni  Ni21  1  1.003846  0.749825  0.595444  1
  Ni  Ni22  1  0.503846  0.249825  0.651762  1
  Ni  Ni23  1  0.503846  0.749825  0.678843  1
  Ni  Ni24  1  1.003846  0.249825  0.734882  1
