# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29032113
_cell_length_b   9.10609995
_cell_length_c   47.75275370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr16 Ni48'
_cell_volume   1865.60902503
_cell_formula_units_Z   16
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  0.752925  0.111681  0.282185  1
  Zr  Zr2  1  0.252925  0.270233  0.337192  1
  Zr  Zr3  1  0.752925  0.606623  0.338530  1
  Zr  Zr4  1  0.252925  0.774457  0.393270  1
  Zr  Zr5  1  0.752925  0.103870  0.393319  1
  Zr  Zr6  1  0.252925  0.273234  0.448995  1
  Zr  Zr7  1  0.752925  0.605488  0.448967  1
  Zr  Zr8  1  0.252925  0.772801  0.504598  1
  Zr  Zr9  1  0.752925  0.105910  0.504586  1
  Zr  Zr10  1  0.252925  0.274157  0.560728  1
  Zr  Zr11  1  0.752925  0.604754  0.560666  1
  Zr  Zr12  1  0.252925  0.773838  0.615227  1
  Zr  Zr13  1  0.752925  0.106420  0.615134  1
  Zr  Zr14  1  0.252925  0.275784  0.672102  1
  Zr  Zr15  1  0.752925  0.607563  0.674603  1
  Zr  Zr16  1  0.252925  0.764967  0.724208  1
  Ni  Ni17  1  0.752925  0.857913  0.310265  1
  Ni  Ni18  1  0.252925  0.018127  0.309782  1
  Ni  Ni19  1  0.252925  0.528734  0.309817  1
  Ni  Ni20  1  0.752925  0.358829  0.310020  1
  Ni  Ni21  1  0.752925  0.610564  0.285437  1
  Ni  Ni22  1  0.252925  0.277775  0.283730  1
  Ni  Ni23  1  0.752925  0.356694  0.366201  1
  Ni  Ni24  1  0.252925  0.522674  0.365930  1
  Ni  Ni25  1  0.252925  0.019943  0.364139  1
  Ni  Ni26  1  0.752925  0.855628  0.364209  1
  Ni  Ni27  1  0.752925  0.100332  0.336455  1
  Ni  Ni28  1  0.252925  0.774838  0.335873  1
  Ni  Ni29  1  0.752925  0.856651  0.421909  1
  Ni  Ni30  1  0.252925  0.022853  0.421713  1
  Ni  Ni31  1  0.252925  0.521756  0.420800  1
  Ni  Ni32  1  0.752925  0.355920  0.420744  1
  Ni  Ni33  1  0.752925  0.603224  0.393468  1
  Ni  Ni34  1  0.252925  0.274981  0.393389  1
  Ni  Ni35  1  0.752925  0.356587  0.477289  1
  Ni  Ni36  1  0.252925  0.522280  0.477288  1
  Ni  Ni37  1  0.252925  0.022253  0.476420  1
  Ni  Ni38  1  0.752925  0.856385  0.476498  1
  Ni  Ni39  1  0.752925  0.103092  0.449030  1
  Ni  Ni40  1  0.252925  0.775774  0.449022  1
  Ni  Ni41  1  0.752925  0.856297  0.532759  1
  Ni  Ni42  1  0.252925  0.022528  0.532689  1
  Ni  Ni43  1  0.252925  0.522178  0.532064  1
  Ni  Ni44  1  0.752925  0.356406  0.532060  1
  Ni  Ni45  1  0.752925  0.602657  0.504758  1
  Ni  Ni46  1  0.252925  0.276049  0.504756  1
  Ni  Ni47  1  0.752925  0.357910  0.588981  1
  Ni  Ni48  1  0.252925  0.522797  0.589103  1
  Ni  Ni49  1  0.252925  0.022236  0.587332  1
  Ni  Ni50  1  0.752925  0.855755  0.587527  1
  Ni  Ni51  1  0.752925  0.103170  0.559910  1
  Ni  Ni52  1  0.252925  0.775458  0.559990  1
  Ni  Ni53  1  0.752925  0.857214  0.644215  1
  Ni  Ni54  1  0.252925  0.024111  0.644287  1
  Ni  Ni55  1  0.252925  0.523383  0.643613  1
  Ni  Ni56  1  0.752925  0.358361  0.643803  1
  Ni  Ni57  1  0.752925  0.603733  0.616924  1
  Ni  Ni58  1  0.252925  0.276640  0.616953  1
  Ni  Ni59  1  0.752925  0.345229  0.698583  1
  Ni  Ni60  1  0.252925  0.518398  0.698118  1
  Ni  Ni61  1  0.252925  0.021962  0.697725  1
  Ni  Ni62  1  0.752925  0.870347  0.697646  1
  Ni  Ni63  1  0.752925  0.104947  0.670816  1
  Ni  Ni64  1  0.252925  0.779633  0.671115  1
