# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82081449
_cell_length_b   4.25775696
_cell_length_c   47.70113090
_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   1994.60567664
_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  0.632579  0.251879  0.280407  1
  Zr  Zr2  1  0.850510  0.751879  0.311098  1
  Zr  Zr3  1  0.153318  0.251879  0.311098  1
  Zr  Zr4  1  0.371249  0.751879  0.280407  1
  Zr  Zr5  1  0.643425  0.251879  0.347447  1
  Zr  Zr6  1  0.868112  0.751879  0.378809  1
  Zr  Zr7  1  0.135716  0.251879  0.378809  1
  Zr  Zr8  1  0.360403  0.751879  0.347447  1
  Zr  Zr9  1  0.640074  0.251879  0.413678  1
  Zr  Zr10  1  0.863538  0.751879  0.446504  1
  Zr  Zr11  1  0.140290  0.251879  0.446504  1
  Zr  Zr12  1  0.363754  0.751879  0.413678  1
  Zr  Zr13  1  0.640444  0.251879  0.480350  1
  Zr  Zr14  1  0.863383  0.751879  0.513231  1
  Zr  Zr15  1  0.140444  0.251879  0.513231  1
  Zr  Zr16  1  0.363383  0.751879  0.480350  1
  Zr  Zr17  1  0.640290  0.251879  0.547077  1
  Zr  Zr18  1  0.863754  0.751879  0.579903  1
  Zr  Zr19  1  0.140074  0.251879  0.579903  1
  Zr  Zr20  1  0.363538  0.751879  0.547077  1
  Zr  Zr21  1  0.635716  0.251879  0.614771  1
  Zr  Zr22  1  0.860403  0.751879  0.646134  1
  Zr  Zr23  1  0.143425  0.251879  0.646134  1
  Zr  Zr24  1  0.368112  0.751879  0.614771  1
  Zr  Zr25  1  0.653318  0.251879  0.682483  1
  Zr  Zr26  1  0.871249  0.751879  0.713174  1
  Zr  Zr27  1  0.132579  0.251879  0.713174  1
  Zr  Zr28  1  0.350510  0.751879  0.682483  1
  Ni  Ni29  1  0.922219  0.251879  0.283879  1
  Ni  Ni30  1  0.579280  0.751879  0.315566  1
  Ni  Ni31  1  0.424548  0.251879  0.315566  1
  Ni  Ni32  1  0.081609  0.751879  0.283879  1
  Ni  Ni33  1  0.924767  0.251879  0.341522  1
  Ni  Ni34  1  0.583794  0.751879  0.380409  1
  Ni  Ni35  1  0.420034  0.251879  0.380409  1
  Ni  Ni36  1  0.079061  0.751879  0.341522  1
  Ni  Ni37  1  0.920707  0.251879  0.413243  1
  Ni  Ni38  1  0.582445  0.751879  0.447195  1
  Ni  Ni39  1  0.421383  0.251879  0.447195  1
  Ni  Ni40  1  0.083120  0.751879  0.413243  1
  Ni  Ni41  1  0.921276  0.251879  0.479872  1
  Ni  Ni42  1  0.582551  0.751879  0.513709  1
  Ni  Ni43  1  0.421276  0.251879  0.513709  1
  Ni  Ni44  1  0.082551  0.751879  0.479872  1
  Ni  Ni45  1  0.921383  0.251879  0.546386  1
  Ni  Ni46  1  0.583120  0.751879  0.580337  1
  Ni  Ni47  1  0.420707  0.251879  0.580337  1
  Ni  Ni48  1  0.082445  0.751879  0.546386  1
  Ni  Ni49  1  0.920034  0.251879  0.613172  1
  Ni  Ni50  1  0.579061  0.751879  0.652058  1
  Ni  Ni51  1  0.424767  0.251879  0.652058  1
  Ni  Ni52  1  0.083794  0.751879  0.613172  1
  Ni  Ni53  1  0.924548  0.251879  0.678015  1
  Ni  Ni54  1  0.581609  0.751879  0.709702  1
  Ni  Ni55  1  0.422219  0.251879  0.709702  1
  Ni  Ni56  1  0.079280  0.751879  0.678015  1
