# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08467543
_cell_length_b   8.37921054
_cell_length_c   48.85601276
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.03987208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr48 Ni24'
_cell_volume   3117.63683773
_cell_formula_units_Z   24
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  0.869898  0.240856  0.295899  1
  Zr  Zr2  1  0.115150  0.386247  0.354686  1
  Zr  Zr3  1  0.122162  0.089889  0.319453  1
  Zr  Zr4  1  0.089747  0.672723  0.307333  1
  Zr  Zr5  1  0.516823  0.523375  0.329547  1
  Zr  Zr6  1  0.471381  0.098193  0.320153  1
  Zr  Zr7  1  0.490806  0.799639  0.287330  1
  Zr  Zr8  1  0.729933  0.953962  0.343916  1
  Zr  Zr9  1  0.162401  0.819086  0.366704  1
  Zr  Zr10  1  0.403945  0.963785  0.426681  1
  Zr  Zr11  1  0.422457  0.674086  0.390888  1
  Zr  Zr12  1  0.375270  0.245159  0.378753  1
  Zr  Zr13  1  0.807712  0.106334  0.402915  1
  Zr  Zr14  1  0.759383  0.675027  0.390530  1
  Zr  Zr15  1  0.779591  0.386905  0.355232  1
  Zr  Zr16  1  0.019872  0.532510  0.415013  1
  Zr  Zr17  1  0.451342  0.394337  0.438342  1
  Zr  Zr18  1  0.692541  0.540149  0.498324  1
  Zr  Zr19  1  0.711340  0.251485  0.462671  1
  Zr  Zr20  1  0.663859  0.820123  0.450827  1
  Zr  Zr21  1  0.095525  0.682847  0.474207  1
  Zr  Zr22  1  0.048693  0.252098  0.462587  1
  Zr  Zr23  1  0.066805  0.963132  0.426655  1
  Zr  Zr24  1  0.308189  0.108986  0.486667  1
  Zr  Zr25  1  0.739956  0.971095  0.510054  1
  Zr  Zr26  1  0.981341  0.116950  0.570066  1
  Zr  Zr27  1  0.999452  0.827984  0.534134  1
  Zr  Zr28  1  0.952620  0.397235  0.522514  1
  Zr  Zr29  1  0.384286  0.259959  0.545894  1
  Zr  Zr30  1  0.336806  0.828597  0.534050  1
  Zr  Zr31  1  0.355604  0.539933  0.498397  1
  Zr  Zr32  1  0.596803  0.685744  0.558379  1
  Zr  Zr33  1  0.028273  0.547572  0.581708  1
  Zr  Zr34  1  0.268554  0.693177  0.641489  1
  Zr  Zr35  1  0.288762  0.405054  0.606191  1
  Zr  Zr36  1  0.240434  0.973748  0.593806  1
  Zr  Zr37  1  0.672875  0.834923  0.617968  1
  Zr  Zr38  1  0.625688  0.405995  0.605833  1
  Zr  Zr39  1  0.644201  0.116297  0.570040  1
  Zr  Zr40  1  0.885744  0.260996  0.630018  1
  Zr  Zr41  1  0.318212  0.126120  0.652806  1
  Zr  Zr42  1  0.557339  0.280442  0.709392  1
  Zr  Zr43  1  0.576765  0.981888  0.676568  1
  Zr  Zr44  1  0.531322  0.556706  0.667174  1
  Zr  Zr45  1  0.958399  0.407359  0.689388  1
  Zr  Zr46  1  0.925983  0.990192  0.677268  1
  Zr  Zr47  1  0.932995  0.693835  0.642035  1
  Zr  Zr48  1  0.178247  0.839226  0.700822  1
  Ni  Ni49  1  0.374455  0.742882  0.337526  1
  Ni  Ni50  1  0.228774  0.456477  0.302811  1
  Ni  Ni51  1  0.735500  0.456518  0.303226  1
  Ni  Ni52  1  0.874014  0.741380  0.337362  1
  Ni  Ni53  1  0.663279  0.319265  0.409066  1
  Ni  Ni54  1  0.519367  0.031365  0.373566  1
  Ni  Ni55  1  0.019406  0.031237  0.373029  1
  Ni  Ni56  1  0.163855  0.319962  0.408930  1
  Ni  Ni57  1  0.951880  0.895886  0.480390  1
  Ni  Ni58  1  0.807719  0.607703  0.444553  1
  Ni  Ni59  1  0.307767  0.607831  0.444614  1
  Ni  Ni60  1  0.452069  0.895987  0.480413  1
  Ni  Ni61  1  0.240426  0.472379  0.552168  1
  Ni  Ni62  1  0.096266  0.184196  0.516331  1
  Ni  Ni63  1  0.596076  0.184095  0.516308  1
  Ni  Ni64  1  0.740378  0.472251  0.552107  1
  Ni  Ni65  1  0.528778  0.048717  0.623155  1
  Ni  Ni66  1  0.384866  0.760817  0.587655  1
  Ni  Ni67  1  0.884291  0.760120  0.587791  1
  Ni  Ni68  1  0.028739  0.048844  0.623692  1
  Ni  Ni69  1  0.819371  0.623605  0.693911  1
  Ni  Ni70  1  0.673690  0.337200  0.659195  1
  Ni  Ni71  1  0.174131  0.338702  0.659359  1
  Ni  Ni72  1  0.312645  0.623564  0.693495  1
