# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83680186
_cell_length_b   19.99288162
_cell_length_c   49.65054566
_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   'Zr48 Ni48'
_cell_volume   3808.6300743
_cell_formula_units_Z   48
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  0.256082  0.028010  0.332301  1
  Zr  Zr2  1  0.256082  0.543846  0.298348  1
  Zr  Zr3  1  0.756082  0.934004  0.292008  1
  Zr  Zr4  1  0.756082  0.421832  0.324795  1
  Zr  Zr5  1  0.256082  0.287485  0.315260  1
  Zr  Zr6  1  0.256082  0.772349  0.349386  1
  Zr  Zr7  1  0.756082  0.163032  0.341769  1
  Zr  Zr8  1  0.756082  0.678657  0.307855  1
  Zr  Zr9  1  0.256082  0.997614  0.403723  1
  Zr  Zr10  1  0.256082  0.513921  0.367698  1
  Zr  Zr11  1  0.756082  0.904883  0.360078  1
  Zr  Zr12  1  0.756082  0.389016  0.395649  1
  Zr  Zr13  1  0.256082  0.255826  0.385309  1
  Zr  Zr14  1  0.256082  0.739195  0.421508  1
  Zr  Zr15  1  0.756082  0.131207  0.413435  1
  Zr  Zr16  1  0.756082  0.647375  0.377361  1
  Zr  Zr17  1  0.256082  0.965140  0.475322  1
  Zr  Zr18  1  0.256082  0.481100  0.439498  1
  Zr  Zr19  1  0.756082  0.872886  0.431577  1
  Zr  Zr20  1  0.756082  0.356679  0.467291  1
  Zr  Zr21  1  0.256082  0.223183  0.457329  1
  Zr  Zr22  1  0.256082  0.706994  0.493192  1
  Zr  Zr23  1  0.756082  0.098714  0.485167  1
  Zr  Zr24  1  0.756082  0.614820  0.449396  1
  Zr  Zr25  1  0.256082  0.932700  0.546944  1
  Zr  Zr26  1  0.256082  0.448806  0.511173  1
  Zr  Zr27  1  0.756082  0.840526  0.503148  1
  Zr  Zr28  1  0.756082  0.324337  0.539011  1
  Zr  Zr29  1  0.256082  0.190840  0.529048  1
  Zr  Zr30  1  0.256082  0.674633  0.564763  1
  Zr  Zr31  1  0.756082  0.066420  0.556842  1
  Zr  Zr32  1  0.756082  0.582380  0.521018  1
  Zr  Zr33  1  0.256082  0.900144  0.618979  1
  Zr  Zr34  1  0.256082  0.416313  0.582905  1
  Zr  Zr35  1  0.756082  0.808325  0.574832  1
  Zr  Zr36  1  0.756082  0.291694  0.611031  1
  Zr  Zr37  1  0.256082  0.158504  0.600691  1
  Zr  Zr38  1  0.256082  0.642636  0.636261  1
  Zr  Zr39  1  0.756082  0.033599  0.628641  1
  Zr  Zr40  1  0.756082  0.549906  0.592617  1
  Zr  Zr41  1  0.256082  0.868862  0.688485  1
  Zr  Zr42  1  0.256082  0.384488  0.654571  1
  Zr  Zr43  1  0.756082  0.775171  0.646954  1
  Zr  Zr44  1  0.756082  0.260035  0.681080  1
  Zr  Zr45  1  0.256082  0.125687  0.671545  1
  Zr  Zr46  1  0.256082  0.613515  0.704331  1
  Zr  Zr47  1  0.756082  0.003673  0.697992  1
  Zr  Zr48  1  0.756082  0.519510  0.664039  1
  Ni  Ni49  1  0.256082  0.891162  0.322414  1
  Ni  Ni50  1  0.256082  0.407894  0.288465  1
  Ni  Ni51  1  0.756082  0.070882  0.298708  1
  Ni  Ni52  1  0.756082  0.558146  0.334018  1
  Ni  Ni53  1  0.256082  0.150149  0.304375  1
  Ni  Ni54  1  0.256082  0.635666  0.339491  1
  Ni  Ni55  1  0.756082  0.299678  0.351903  1
  Ni  Ni56  1  0.756082  0.814584  0.315815  1
  Ni  Ni57  1  0.256082  0.860275  0.394017  1
  Ni  Ni58  1  0.256082  0.377087  0.356975  1
  Ni  Ni59  1  0.756082  0.042502  0.369913  1
  Ni  Ni60  1  0.756082  0.525849  0.405972  1
  Ni  Ni61  1  0.256082  0.119332  0.375159  1
  Ni  Ni62  1  0.256082  0.602711  0.411582  1
  Ni  Ni63  1  0.756082  0.267634  0.423616  1
  Ni  Ni64  1  0.756082  0.783555  0.387527  1
  Ni  Ni65  1  0.256082  0.828324  0.465169  1
  Ni  Ni66  1  0.256082  0.344400  0.429417  1
  Ni  Ni67  1  0.756082  0.009744  0.441606  1
  Ni  Ni68  1  0.756082  0.493355  0.477396  1
  Ni  Ni69  1  0.256082  0.086632  0.447255  1
  Ni  Ni70  1  0.256082  0.570243  0.483066  1
  Ni  Ni71  1  0.756082  0.235348  0.495300  1
  Ni  Ni72  1  0.756082  0.751439  0.459456  1
  Ni  Ni73  1  0.256082  0.796081  0.536884  1
  Ni  Ni74  1  0.256082  0.312172  0.501040  1
  Ni  Ni75  1  0.756082  0.977277  0.513274  1
  Ni  Ni76  1  0.756082  0.460888  0.549085  1
  Ni  Ni77  1  0.256082  0.054165  0.518944  1
  Ni  Ni78  1  0.256082  0.537776  0.554734  1
  Ni  Ni79  1  0.756082  0.203119  0.566923  1
  Ni  Ni80  1  0.756082  0.719195  0.531171  1
  Ni  Ni81  1  0.256082  0.763965  0.608813  1
  Ni  Ni82  1  0.256082  0.279886  0.572724  1
  Ni  Ni83  1  0.756082  0.944809  0.584758  1
  Ni  Ni84  1  0.756082  0.428187  0.621181  1
  Ni  Ni85  1  0.256082  0.021671  0.590368  1
  Ni  Ni86  1  0.256082  0.505018  0.626427  1
  Ni  Ni87  1  0.756082  0.170433  0.639365  1
  Ni  Ni88  1  0.756082  0.687245  0.602322  1
  Ni  Ni89  1  0.256082  0.732936  0.680525  1
  Ni  Ni90  1  0.256082  0.247842  0.644437  1
  Ni  Ni91  1  0.756082  0.911854  0.656849  1
  Ni  Ni92  1  0.756082  0.397371  0.691965  1
  Ni  Ni93  1  0.256082  0.989374  0.662322  1
  Ni  Ni94  1  0.256082  0.476638  0.697632  1
  Ni  Ni95  1  0.756082  0.139626  0.707875  1
  Ni  Ni96  1  0.756082  0.656357  0.673926  1
