# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25505646
_cell_length_b   6.80666845
_cell_length_c   47.15251641
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.77849274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr14 Ni42'
_cell_volume   1555.0766721
_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  0.829981  0.654923  0.326774  1
  Zr  Zr2  1  0.302756  0.600626  0.272160  1
  Zr  Zr3  1  0.063886  0.122712  0.393340  1
  Zr  Zr4  1  0.533615  0.062489  0.338111  1
  Zr  Zr5  1  0.299022  0.592963  0.460200  1
  Zr  Zr6  1  0.769299  0.533866  0.404520  1
  Zr  Zr7  1  0.534118  0.063140  0.527039  1
  Zr  Zr8  1  0.004292  0.003838  0.471435  1
  Zr  Zr9  1  0.769110  0.533112  0.593954  1
  Zr  Zr10  1  0.239388  0.474015  0.538274  1
  Zr  Zr11  1  0.004794  0.004489  0.660363  1
  Zr  Zr12  1  0.474524  0.944266  0.605134  1
  Zr  Zr13  1  0.235654  0.466352  0.726314  1
  Zr  Zr14  1  0.708429  0.412055  0.671700  1
  Ni  Ni15  1  0.213186  0.920555  0.293528  1
  Ni  Ni16  1  0.797539  0.590267  0.273584  1
  Ni  Ni17  1  0.918940  0.325393  0.304468  1
  Ni  Ni18  1  0.326571  0.648002  0.326428  1
  Ni  Ni19  1  0.712951  0.920565  0.293526  1
  Ni  Ni20  1  0.410652  0.325359  0.304466  1
  Ni  Ni21  1  0.443074  0.388345  0.359609  1
  Ni  Ni22  1  0.035805  0.066969  0.337319  1
  Ni  Ni23  1  0.155611  0.797296  0.371407  1
  Ni  Ni24  1  0.563134  0.121097  0.393753  1
  Ni  Ni25  1  0.950464  0.388347  0.359609  1
  Ni  Ni26  1  0.646306  0.797299  0.371406  1
  Ni  Ni27  1  0.678615  0.859249  0.426617  1
  Ni  Ni28  1  0.270054  0.535476  0.404307  1
  Ni  Ni29  1  0.389553  0.267446  0.438231  1
  Ni  Ni30  1  0.797904  0.590626  0.460485  1
  Ni  Ni31  1  0.185801  0.859247  0.426618  1
  Ni  Ni32  1  0.882538  0.267447  0.438231  1
  Ni  Ni33  1  0.913825  0.329509  0.493439  1
  Ni  Ni34  1  0.505443  0.006242  0.471147  1
  Ni  Ni35  1  0.624585  0.737469  0.505035  1
  Ni  Ni36  1  0.032967  0.060736  0.527326  1
  Ni  Ni37  1  0.420865  0.329507  0.493440  1
  Ni  Ni38  1  0.117544  0.737471  0.505034  1
  Ni  Ni39  1  0.148857  0.799532  0.560242  1
  Ni  Ni40  1  0.740506  0.476352  0.537988  1
  Ni  Ni41  1  0.859795  0.207729  0.571856  1
  Ni  Ni42  1  0.268356  0.531502  0.594166  1
  Ni  Ni43  1  0.655872  0.799530  0.560243  1
  Ni  Ni44  1  0.352609  0.207731  0.571856  1
  Ni  Ni45  1  0.382799  0.269682  0.627067  1
  Ni  Ni46  1  0.975276  0.945881  0.604720  1
  Ni  Ni47  1  0.095336  0.678633  0.638865  1
  Ni  Ni48  1  0.502605  1.000009  0.661155  1
  Ni  Ni49  1  0.892104  0.269679  0.627068  1
  Ni  Ni50  1  0.587946  0.678631  0.638864  1
  Ni  Ni51  1  0.619470  0.741585  0.694006  1
  Ni  Ni52  1  0.211838  0.418975  0.672046  1
  Ni  Ni53  1  0.325224  0.146423  0.704945  1
  Ni  Ni54  1  0.740871  0.476711  0.724889  1
  Ni  Ni55  1  0.127757  0.741619  0.694008  1
  Ni  Ni56  1  0.825459  0.146413  0.704948  1
