# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12872935
_cell_length_b   9.84460092
_cell_length_c   47.17561795
_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   'Zr20 Ni20'
_cell_volume   1453.06054062
_cell_formula_units_Z   20
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  1.004943  0.640224  0.294788  1
  Zr  Zr2  1  0.504943  0.862815  0.338832  1
  Zr  Zr3  1  0.504943  0.140224  0.294788  1
  Zr  Zr4  1  1.004943  0.362815  0.338832  1
  Zr  Zr5  1  1.004943  0.639363  0.384437  1
  Zr  Zr6  1  0.504943  0.862287  0.429965  1
  Zr  Zr7  1  0.504943  0.139363  0.384437  1
  Zr  Zr8  1  1.004943  0.362287  0.429965  1
  Zr  Zr9  1  1.004943  0.639225  0.475501  1
  Zr  Zr10  1  0.504943  0.862177  0.521016  1
  Zr  Zr11  1  0.504943  0.139225  0.475501  1
  Zr  Zr12  1  1.004943  0.362177  0.521016  1
  Zr  Zr13  1  1.004943  0.639116  0.566552  1
  Zr  Zr14  1  0.504943  0.862039  0.612079  1
  Zr  Zr15  1  0.504943  0.139116  0.566552  1
  Zr  Zr16  1  1.004943  0.362039  0.612079  1
  Zr  Zr17  1  1.004943  0.638587  0.657685  1
  Zr  Zr18  1  0.504943  0.861178  0.701729  1
  Zr  Zr19  1  0.504943  0.138587  0.657685  1
  Zr  Zr20  1  1.004943  0.361178  0.701729  1
  Ni  Ni21  1  0.004943  0.917887  0.293439  1
  Ni  Ni22  1  0.504943  0.582001  0.338738  1
  Ni  Ni23  1  0.504943  0.417887  0.293439  1
  Ni  Ni24  1  1.004943  0.082001  0.338738  1
  Ni  Ni25  1  1.004943  0.919740  0.384528  1
  Ni  Ni26  1  0.504943  0.581822  0.430061  1
  Ni  Ni27  1  0.504943  0.419740  0.384528  1
  Ni  Ni28  1  1.004943  0.081822  0.430061  1
  Ni  Ni29  1  1.004943  0.919620  0.475499  1
  Ni  Ni30  1  0.504943  0.581782  0.521018  1
  Ni  Ni31  1  0.504943  0.419620  0.475499  1
  Ni  Ni32  1  1.004943  0.081782  0.521018  1
  Ni  Ni33  1  1.004943  0.919580  0.566456  1
  Ni  Ni34  1  0.504943  0.581663  0.611989  1
  Ni  Ni35  1  0.504943  0.419580  0.566456  1
  Ni  Ni36  1  1.004943  0.081663  0.611989  1
  Ni  Ni37  1  1.004943  0.919401  0.657779  1
  Ni  Ni38  1  0.504943  0.583516  0.703078  1
  Ni  Ni39  1  0.504943  0.419401  0.657779  1
  Ni  Ni40  1  1.004943  0.083516  0.703078  1
