# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23684722
_cell_length_b   10.07917946
_cell_length_c   48.80606014
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.12695213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr20 Ni60'
_cell_volume   2486.87310558
_cell_formula_units_Z   20
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  0.848617  0.188701  0.354175  1
  Zr  Zr2  1  0.659323  0.810338  0.311073  1
  Zr  Zr3  1  0.481899  0.455668  0.347733  1
  Zr  Zr4  1  0.286456  0.064557  0.306083  1
  Zr  Zr5  1  0.237766  0.967017  0.437431  1
  Zr  Zr6  1  0.042684  0.576886  0.396042  1
  Zr  Zr7  1  0.871653  0.235001  0.430739  1
  Zr  Zr8  1  0.676101  0.843936  0.389333  1
  Zr  Zr9  1  0.628245  0.747966  0.521034  1
  Zr  Zr10  1  0.432965  0.357411  0.479314  1
  Zr  Zr11  1  0.262030  0.015737  0.514279  1
  Zr  Zr12  1  0.066750  0.625183  0.472559  1
  Zr  Zr13  1  0.018894  0.529213  0.604260  1
  Zr  Zr14  1  0.823343  0.138148  0.562854  1
  Zr  Zr15  1  0.652312  0.796263  0.597551  1
  Zr  Zr16  1  0.457230  0.406131  0.556162  1
  Zr  Zr17  1  0.408540  0.308592  0.687510  1
  Zr  Zr18  1  0.213096  0.917481  0.645860  1
  Zr  Zr19  1  0.035673  0.562811  0.682520  1
  Zr  Zr20  1  0.846379  0.184448  0.639418  1
  Ni  Ni21  1  0.157935  0.303816  0.312310  1
  Ni  Ni22  1  0.349797  0.689719  0.353014  1
  Ni  Ni23  1  0.983576  0.459109  0.346737  1
  Ni  Ni24  1  0.791454  0.074596  0.308212  1
  Ni  Ni25  1  0.789239  0.568611  0.306750  1
  Ni  Ni26  1  0.985492  0.954013  0.347631  1
  Ni  Ni27  1  0.346591  0.184574  0.353918  1
  Ni  Ni28  1  0.151133  0.793944  0.314451  1
  Ni  Ni29  1  0.654779  0.303793  0.312312  1
  Ni  Ni30  1  0.848436  0.689717  0.353017  1
  Ni  Ni31  1  0.286840  0.568615  0.306751  1
  Ni  Ni32  1  0.476674  0.954013  0.347634  1
  Ni  Ni33  1  0.539006  0.077104  0.395475  1
  Ni  Ni34  1  0.734395  0.467739  0.437369  1
  Ni  Ni35  1  0.371784  0.235337  0.430546  1
  Ni  Ni36  1  0.176254  0.844319  0.388297  1
  Ni  Ni37  1  0.180788  0.343637  0.389424  1
  Ni  Ni38  1  0.374800  0.734403  0.431207  1
  Ni  Ni39  1  0.737680  0.966769  0.437938  1
  Ni  Ni40  1  0.542662  0.576736  0.396232  1
  Ni  Ni41  1  0.046688  0.077105  0.395474  1
  Ni  Ni42  1  0.241930  0.467746  0.437369  1
  Ni  Ni43  1  0.671051  0.343635  0.389421  1
  Ni  Ni44  1  0.867835  0.734401  0.431206  1
  Ni  Ni45  1  0.930047  0.858462  0.479037  1
  Ni  Ni46  1  0.125092  0.248602  0.520766  1
  Ni  Ni47  1  0.762439  0.016625  0.513948  1
  Ni  Ni48  1  0.567196  0.626147  0.472287  1
  Ni  Ni49  1  0.569903  0.124547  0.472827  1
  Ni  Ni50  1  0.764948  0.514687  0.514556  1
  Ni  Ni51  1  0.127800  0.747001  0.521305  1
  Ni  Ni52  1  0.932556  0.356524  0.479645  1
  Ni  Ni53  1  0.437015  0.858466  0.479038  1
  Ni  Ni54  1  0.632118  0.248604  0.520766  1
  Ni  Ni55  1  0.062877  0.124544  0.472827  1
  Ni  Ni56  1  0.257980  0.514682  0.514555  1
  Ni  Ni57  1  0.320196  0.638745  0.562386  1
  Ni  Ni58  1  0.514207  0.029511  0.604169  1
  Ni  Ni59  1  0.152333  0.796412  0.597361  1
  Ni  Ni60  1  0.957315  0.406380  0.555655  1
  Ni  Ni61  1  0.960600  0.905410  0.556224  1
  Ni  Ni62  1  0.155990  0.296045  0.598118  1
  Ni  Ni63  1  0.518741  0.528830  0.605296  1
  Ni  Ni64  1  0.323211  0.137811  0.563047  1
  Ni  Ni65  1  0.827160  0.638748  0.562387  1
  Ni  Ni66  1  0.023945  0.029514  0.604172  1
  Ni  Ni67  1  0.453065  0.905403  0.556224  1
  Ni  Ni68  1  0.648307  0.296044  0.598118  1
  Ni  Ni69  1  0.709503  0.419135  0.645962  1
  Ni  Ni70  1  0.905757  0.804538  0.686843  1
  Ni  Ni71  1  0.543862  0.579205  0.679142  1
  Ni  Ni72  1  0.348404  0.188574  0.639675  1
  Ni  Ni73  1  0.345199  0.683430  0.640579  1
  Ni  Ni74  1  0.537060  0.069333  0.681283  1
  Ni  Ni75  1  0.903542  0.298553  0.685380  1
  Ni  Ni76  1  0.711419  0.914039  0.646855  1
  Ni  Ni77  1  0.218322  0.419136  0.645959  1
  Ni  Ni78  1  0.408155  0.804533  0.686842  1
  Ni  Ni79  1  0.846559  0.683431  0.640576  1
  Ni  Ni80  1  0.040217  0.069356  0.681281  1
