# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59847442
_cell_length_b   3.84816182
_cell_length_c   59.20409101
_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   819.829353405
_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  0.499096  0.254588  0.308010  1
  Zr  Zr2  1  0.999096  0.754588  0.271878  1
  Zr  Zr3  1  0.999096  0.254588  0.391790  1
  Zr  Zr4  1  0.499096  0.754588  0.354434  1
  Zr  Zr5  1  0.499096  0.254588  0.475131  1
  Zr  Zr6  1  0.999096  0.754588  0.437795  1
  Zr  Zr7  1  0.999096  0.254588  0.558490  1
  Zr  Zr8  1  0.499096  0.754588  0.521154  1
  Zr  Zr9  1  0.499096  0.254588  0.641851  1
  Zr  Zr10  1  0.999096  0.754588  0.604495  1
  Zr  Zr11  1  0.999096  0.254588  0.724407  1
  Zr  Zr12  1  0.499096  0.754588  0.688275  1
  Ni  Ni13  1  0.499096  0.254588  0.261027  1
  Ni  Ni14  1  0.999096  0.754588  0.318312  1
  Ni  Ni15  1  0.999096  0.254588  0.344707  1
  Ni  Ni16  1  0.499096  0.754588  0.401528  1
  Ni  Ni17  1  0.499096  0.254588  0.428022  1
  Ni  Ni18  1  0.999096  0.754588  0.484910  1
  Ni  Ni19  1  0.999096  0.254588  0.511375  1
  Ni  Ni20  1  0.499096  0.754588  0.568262  1
  Ni  Ni21  1  0.499096  0.254588  0.594756  1
  Ni  Ni22  1  0.999096  0.754588  0.651577  1
  Ni  Ni23  1  0.999096  0.254588  0.677972  1
  Ni  Ni24  1  0.499096  0.754588  0.735257  1
