# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17445331
_cell_length_b   6.83051807
_cell_length_c   47.39451465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.39539774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr14 Ni42'
_cell_volume   1548.77779572
_cell_formula_units_Z   14
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  0.882056  0.756718  0.326899  1
  Zr  Zr2  1  0.343052  0.678975  0.271929  1
  Zr  Zr3  1  0.123908  0.241072  0.393268  1
  Zr  Zr4  1  0.583735  0.161156  0.338398  1
  Zr  Zr5  1  0.367700  0.729171  0.460176  1
  Zr  Zr6  1  0.828840  0.651944  0.404801  1
  Zr  Zr7  1  0.611707  0.217714  0.527047  1
  Zr  Zr8  1  0.072871  0.140558  0.471735  1
  Zr  Zr9  1  0.855738  0.706328  0.593980  1
  Zr  Zr10  1  0.316878  0.629101  0.538605  1
  Zr  Zr11  1  0.100843  0.197115  0.660383  1
  Zr  Zr12  1  0.560670  0.117200  0.605513  1
  Zr  Zr13  1  0.341526  0.679297  0.726852  1
  Zr  Zr14  1  0.802522  0.601554  0.671883  1
  Ni  Ni15  1  0.263484  0.015326  0.292868  1
  Ni  Ni16  1  0.843086  0.679198  0.274031  1
  Ni  Ni17  1  0.964526  0.418272  0.305097  1
  Ni  Ni18  1  0.378295  0.749011  0.326113  1
  Ni  Ni19  1  0.760486  0.015539  0.292884  1
  Ni  Ni20  1  0.458937  0.418014  0.305088  1
  Ni  Ni21  1  0.498314  0.496793  0.359450  1
  Ni  Ni22  1  0.086718  0.167326  0.337480  1
  Ni  Ni23  1  0.210956  0.907035  0.371937  1
  Ni  Ni24  1  0.623184  0.239434  0.393566  1
  Ni  Ni25  1  0.006056  0.497067  0.359467  1
  Ni  Ni26  1  0.701607  0.906761  0.371910  1
  Ni  Ni27  1  0.743221  0.986142  0.426630  1
  Ni  Ni28  1  0.329632  0.653696  0.404686  1
  Ni  Ni29  1  0.453531  0.395338  0.438521  1
  Ni  Ni30  1  0.866501  0.726638  0.460440  1
  Ni  Ni31  1  0.249789  0.986395  0.426654  1
  Ni  Ni32  1  0.946891  0.395093  0.438501  1
  Ni  Ni33  1  0.987237  0.474494  0.493472  1
  Ni  Ni34  1  0.574093  0.143133  0.471515  1
  Ni  Ni35  1  0.697341  0.883778  0.505309  1
  Ni  Ni36  1  0.110485  0.215138  0.527267  1
  Ni  Ni37  1  0.493580  0.474729  0.493494  1
  Ni  Ni38  1  0.190998  0.883543  0.505288  1
  Ni  Ni39  1  0.231047  0.962934  0.560261  1
  Ni  Ni40  1  0.818077  0.631634  0.538342  1
  Ni  Ni41  1  0.941357  0.372130  0.572152  1
  Ni  Ni42  1  0.354946  0.704576  0.594096  1
  Ni  Ni43  1  0.737687  0.963179  0.560281  1
  Ni  Ni44  1  0.434789  0.371877  0.572128  1
  Ni  Ni45  1  0.473622  0.451237  0.626845  1
  Ni  Ni46  1  0.061394  0.118837  0.605215  1
  Ni  Ni47  1  0.186264  0.861478  0.639331  1
  Ni  Ni48  1  0.597860  0.190946  0.661301  1
  Ni  Ni49  1  0.982971  0.451511  0.626872  1
  Ni  Ni50  1  0.678522  0.861205  0.639315  1
  Ni  Ni51  1  0.720052  0.940000  0.693685  1
  Ni  Ni52  1  0.306283  0.609261  0.672669  1
  Ni  Ni53  1  0.421094  0.342946  0.705914  1
  Ni  Ni54  1  0.841492  0.679074  0.724751  1
  Ni  Ni55  1  0.225641  0.940258  0.693694  1
  Ni  Ni56  1  0.924092  0.342732  0.705898  1
