# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12336578
_cell_length_b   20.14824801
_cell_length_c   46.10646869
_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   'Zr40 Ni40'
_cell_volume   2901.49613415
_cell_formula_units_Z   40
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  1.005810  0.472790  0.310253  1
  Zr  Zr2  1  1.005810  0.995849  0.354512  1
  Zr  Zr3  1  0.505810  0.601725  0.344808  1
  Zr  Zr4  1  0.505810  0.081411  0.300751  1
  Zr  Zr5  1  0.505810  0.235719  0.332515  1
  Zr  Zr6  1  0.505810  0.714407  0.288611  1
  Zr  Zr7  1  1.005810  0.321303  0.279648  1
  Zr  Zr8  1  1.005810  0.841614  0.322884  1
  Zr  Zr9  1  1.005810  0.519095  0.401132  1
  Zr  Zr10  1  1.005810  0.041150  0.446003  1
  Zr  Zr11  1  0.505810  0.647755  0.436288  1
  Zr  Zr12  1  0.505810  0.125153  0.390408  1
  Zr  Zr13  1  0.505810  0.280061  0.423715  1
  Zr  Zr14  1  0.505810  0.757098  0.378097  1
  Zr  Zr15  1  1.005810  0.364433  0.368422  1
  Zr  Zr16  1  1.005810  0.886586  0.413130  1
  Zr  Zr17  1  1.005810  0.563737  0.492240  1
  Zr  Zr18  1  1.005810  0.085893  0.537138  1
  Zr  Zr19  1  0.505810  0.692480  0.527388  1
  Zr  Zr20  1  0.505810  0.170083  0.481638  1
  Zr  Zr21  1  0.505810  0.324856  0.514846  1
  Zr  Zr22  1  0.505810  0.802458  0.469096  1
  Zr  Zr23  1  1.005810  0.409046  0.459346  1
  Zr  Zr24  1  1.005810  0.931202  0.504245  1
  Zr  Zr25  1  1.005810  0.608353  0.583354  1
  Zr  Zr26  1  1.005810  0.130506  0.628062  1
  Zr  Zr27  1  0.505810  0.737841  0.618387  1
  Zr  Zr28  1  0.505810  0.214877  0.572769  1
  Zr  Zr29  1  0.505810  0.369785  0.606077  1
  Zr  Zr30  1  0.505810  0.847183  0.560196  1
  Zr  Zr31  1  1.005810  0.453788  0.550481  1
  Zr  Zr32  1  1.005810  0.975843  0.595353  1
  Zr  Zr33  1  1.005810  0.653325  0.673601  1
  Zr  Zr34  1  1.005810  0.173635  0.716836  1
  Zr  Zr35  1  0.505810  0.780532  0.707873  1
  Zr  Zr36  1  0.505810  0.259220  0.663969  1
  Zr  Zr37  1  0.505810  0.413527  0.695733  1
  Zr  Zr38  1  0.505810  0.893214  0.651676  1
  Zr  Zr39  1  1.005810  0.499090  0.641972  1
  Zr  Zr40  1  1.005810  0.022148  0.686231  1
  Ni  Ni41  1  1.005810  0.605975  0.297031  1
  Ni  Ni42  1  1.005810  0.130552  0.342096  1
  Ni  Ni43  1  0.505810  0.469615  0.357921  1
  Ni  Ni44  1  0.505810  0.947036  0.310931  1
  Ni  Ni45  1  0.505810  0.369239  0.320800  1
  Ni  Ni46  1  0.505810  0.845004  0.275642  1
  Ni  Ni47  1  1.005810  0.188109  0.289430  1
  Ni  Ni48  1  1.005810  0.706733  0.335053  1
  Ni  Ni49  1  1.005810  0.652327  0.388113  1
  Ni  Ni50  1  1.005810  0.175140  0.433587  1
  Ni  Ni51  1  0.505810  0.514015  0.449389  1
  Ni  Ni52  1  0.505810  0.991530  0.403047  1
  Ni  Ni53  1  0.505810  0.414424  0.411339  1
  Ni  Ni54  1  0.505810  0.891730  0.364949  1
  Ni  Ni55  1  1.005810  0.230211  0.380811  1
  Ni  Ni56  1  1.005810  0.752627  0.426292  1
  Ni  Ni57  1  1.005810  0.697524  0.479159  1
  Ni  Ni58  1  1.005810  0.219879  0.524649  1
  Ni  Ni59  1  0.505810  0.558616  0.540425  1
  Ni  Ni60  1  0.505810  0.036087  0.494171  1
  Ni  Ni61  1  0.505810  0.458851  0.502313  1
  Ni  Ni62  1  0.505810  0.936322  0.456059  1
  Ni  Ni63  1  1.005810  0.275060  0.471836  1
  Ni  Ni64  1  1.005810  0.797415  0.517326  1
  Ni  Ni65  1  1.005810  0.742312  0.570193  1
  Ni  Ni66  1  1.005810  0.264727  0.615673  1
  Ni  Ni67  1  0.505810  0.603209  0.631535  1
  Ni  Ni68  1  0.505810  0.080515  0.585146  1
  Ni  Ni69  1  0.505810  0.503408  0.593437  1
  Ni  Ni70  1  0.505810  0.980924  0.547096  1
  Ni  Ni71  1  1.005810  0.319799  0.562898  1
  Ni  Ni72  1  1.005810  0.842611  0.608371  1
  Ni  Ni73  1  1.005810  0.788205  0.661431  1
  Ni  Ni74  1  1.005810  0.306829  0.707054  1
  Ni  Ni75  1  0.505810  0.649935  0.720842  1
  Ni  Ni76  1  0.505810  0.125699  0.675685  1
  Ni  Ni77  1  0.505810  0.547902  0.685554  1
  Ni  Ni78  1  0.505810  0.025324  0.638563  1
  Ni  Ni79  1  1.005810  0.364387  0.654388  1
  Ni  Ni80  1  1.005810  0.888963  0.699454  1
