# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10423612
_cell_length_b   6.79172407
_cell_length_c   47.38654878
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.11317949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr18 Ni54'
_cell_volume   2173.59238486
_cell_formula_units_Z   18
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  0.614017  0.554842  0.297010  1
  Zr  Zr2  1  0.129899  0.930132  0.317410  1
  Zr  Zr3  1  0.977488  0.280369  0.344622  1
  Zr  Zr4  1  0.489140  0.637784  0.367947  1
  Zr  Zr5  1  0.338267  0.005136  0.391884  1
  Zr  Zr6  1  0.853205  0.368535  0.415345  1
  Zr  Zr7  1  0.702692  0.732504  0.439146  1
  Zr  Zr8  1  0.216459  0.095637  0.463180  1
  Zr  Zr9  1  0.065976  0.459832  0.487102  1
  Zr  Zr10  1  0.580597  0.823963  0.511033  1
  Zr  Zr11  1  0.430114  0.188158  0.534955  1
  Zr  Zr12  1  0.943880  0.551291  0.558989  1
  Zr  Zr13  1  0.793368  0.915261  0.582790  1
  Zr  Zr14  1  0.308305  0.278659  0.606251  1
  Zr  Zr15  1  0.157433  0.646012  0.630188  1
  Zr  Zr16  1  0.669085  0.003426  0.653514  1
  Zr  Zr17  1  0.516674  0.353663  0.680725  1
  Zr  Zr18  1  0.032556  0.728954  0.701125  1
  Ni  Ni19  1  0.296310  0.425379  0.320220  1
  Ni  Ni20  1  0.935454  0.068069  0.297759  1
  Ni  Ni21  1  0.454098  0.048278  0.298957  1
  Ni  Ni22  1  0.793611  0.411294  0.320389  1
  Ni  Ni23  1  0.118003  0.561440  0.298402  1
  Ni  Ni24  1  0.623747  0.915616  0.320689  1
  Ni  Ni25  1  0.656152  0.143660  0.366835  1
  Ni  Ni26  1  0.308748  0.784707  0.343833  1
  Ni  Ni27  1  0.808197  0.774678  0.343766  1
  Ni  Ni28  1  0.154243  0.135877  0.367512  1
  Ni  Ni29  1  0.479351  0.279613  0.343358  1
  Ni  Ni30  1  0.989009  0.645040  0.366587  1
  Ni  Ni31  1  0.020411  0.869590  0.414780  1
  Ni  Ni32  1  0.674563  0.506038  0.390976  1
  Ni  Ni33  1  0.171043  0.502796  0.392101  1
  Ni  Ni34  1  0.518370  0.866764  0.415857  1
  Ni  Ni35  1  0.840953  0.003887  0.391260  1
  Ni  Ni36  1  0.350170  0.367761  0.415505  1
  Ni  Ni37  1  0.384393  0.598118  0.462891  1
  Ni  Ni38  1  0.036389  0.233141  0.439035  1
  Ni  Ni39  1  0.535144  0.230629  0.439794  1
  Ni  Ni40  1  0.882180  0.594326  0.463586  1
  Ni  Ni41  1  0.204698  0.731950  0.439456  1
  Ni  Ni42  1  0.714302  0.096177  0.463247  1
  Ni  Ni43  1  0.748165  0.326083  0.510644  1
  Ni  Ni44  1  0.400705  0.962033  0.486830  1
  Ni  Ni45  1  0.898408  0.957712  0.487491  1
  Ni  Ni46  1  0.245868  0.321763  0.511305  1
  Ni  Ni47  1  0.568602  0.460144  0.487107  1
  Ni  Ni48  1  0.077971  0.823651  0.511028  1
  Ni  Ni49  1  0.111428  0.053166  0.558341  1
  Ni  Ni50  1  0.764392  0.689469  0.534549  1
  Ni  Ni51  1  0.262179  0.685677  0.535244  1
  Ni  Ni52  1  0.610184  0.050654  0.559100  1
  Ni  Ni53  1  0.932271  0.187618  0.534888  1
  Ni  Ni54  1  0.441874  0.551845  0.558679  1
  Ni  Ni55  1  0.475530  0.780999  0.606034  1
  Ni  Ni56  1  0.128203  0.417031  0.582278  1
  Ni  Ni57  1  0.626162  0.414205  0.583355  1
  Ni  Ni58  1  0.972010  0.777758  0.607159  1
  Ni  Ni59  1  0.296403  0.916034  0.582630  1
  Ni  Ni60  1  0.805620  0.279908  0.606875  1
  Ni  Ni61  1  0.838375  0.509117  0.654369  1
  Ni  Ni62  1  0.492330  0.147918  0.630623  1
  Ni  Ni63  1  0.990421  0.140135  0.631300  1
  Ni  Ni64  1  0.337824  0.499088  0.654302  1
  Ni  Ni65  1  0.657563  0.638755  0.631548  1
  Ni  Ni66  1  0.167222  0.004182  0.654777  1
  Ni  Ni67  1  0.192475  0.235517  0.699178  1
  Ni  Ni68  1  0.852961  0.872501  0.677746  1
  Ni  Ni69  1  0.350263  0.858416  0.677915  1
  Ni  Ni70  1  0.711119  0.215726  0.700376  1
  Ni  Ni71  1  0.022826  0.368179  0.677446  1
  Ni  Ni72  1  0.528569  0.722356  0.699733  1
