# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08599863
_cell_length_b   6.81573788
_cell_length_c   46.76630137
_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   'Zr24 Ni72'
_cell_volume   2896.13345857
_cell_formula_units_Z   24
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  0.171563  0.211380  0.303827  1
  Zr  Zr2  1  0.664679  0.904303  0.338267  1
  Zr  Zr3  1  0.335128  0.711380  0.303827  1
  Zr  Zr4  1  0.842011  0.404303  0.338267  1
  Zr  Zr5  1  0.171358  0.604130  0.375062  1
  Zr  Zr6  1  0.669976  0.304009  0.410544  1
  Zr  Zr7  1  0.335333  0.104130  0.375062  1
  Zr  Zr8  1  0.836715  0.804009  0.410544  1
  Zr  Zr9  1  0.169405  0.004086  0.446366  1
  Zr  Zr10  1  0.669503  0.703227  0.482166  1
  Zr  Zr11  1  0.337286  0.504086  0.446366  1
  Zr  Zr12  1  0.837188  0.203227  0.482166  1
  Zr  Zr13  1  0.169503  0.402968  0.518178  1
  Zr  Zr14  1  0.669405  0.102109  0.553978  1
  Zr  Zr15  1  0.337188  0.902968  0.518178  1
  Zr  Zr16  1  0.837286  0.602109  0.553978  1
  Zr  Zr17  1  0.169976  0.802186  0.589801  1
  Zr  Zr18  1  0.671358  0.502065  0.625283  1
  Zr  Zr19  1  0.336715  0.302186  0.589801  1
  Zr  Zr20  1  0.835333  0.002065  0.625283  1
  Zr  Zr21  1  0.164679  0.201891  0.662078  1
  Zr  Zr22  1  0.671563  0.894815  0.696517  1
  Zr  Zr23  1  0.342011  0.701891  0.662078  1
  Zr  Zr24  1  0.835128  0.394815  0.696517  1
  Ni  Ni25  1  0.166043  0.906525  0.339003  1
  Ni  Ni26  1  0.669978  0.208834  0.304846  1
  Ni  Ni27  1  0.076775  0.855835  0.288857  1
  Ni  Ni28  1  0.586298  0.550129  0.321978  1
  Ni  Ni29  1  0.340647  0.406525  0.339003  1
  Ni  Ni30  1  0.836713  0.708834  0.304846  1
  Ni  Ni31  1  0.416332  0.060755  0.321809  1
  Ni  Ni32  1  0.920173  0.757812  0.356172  1
  Ni  Ni33  1  0.429915  0.355835  0.288857  1
  Ni  Ni34  1  0.920393  0.050129  0.321978  1
  Ni  Ni35  1  0.090358  0.560755  0.321809  1
  Ni  Ni36  1  0.586518  0.257812  0.356172  1
  Ni  Ni37  1  0.166875  0.304471  0.410643  1
  Ni  Ni38  1  0.669297  0.605238  0.374052  1
  Ni  Ni39  1  0.086894  0.251226  0.356981  1
  Ni  Ni40  1  0.586239  0.952084  0.392516  1
  Ni  Ni41  1  0.339816  0.804471  0.410643  1
  Ni  Ni42  1  0.837393  0.105238  0.374052  1
  Ni  Ni43  1  0.422499  0.456525  0.392246  1
  Ni  Ni44  1  0.920018  0.156262  0.427984  1
  Ni  Ni45  1  0.419797  0.751226  0.356981  1
  Ni  Ni46  1  0.920452  0.452084  0.392516  1
  Ni  Ni47  1  0.084191  0.956525  0.392246  1
  Ni  Ni48  1  0.586673  0.656262  0.427984  1
  Ni  Ni49  1  0.166944  0.703417  0.482273  1
  Ni  Ni50  1  0.666835  0.003587  0.446292  1
  Ni  Ni51  1  0.085710  0.651971  0.428801  1
  Ni  Ni52  1  0.586333  0.351624  0.464545  1
  Ni  Ni53  1  0.339746  0.203417  0.482273  1
  Ni  Ni54  1  0.839856  0.503587  0.446292  1
  Ni  Ni55  1  0.420477  0.855557  0.464118  1
  Ni  Ni56  1  0.920362  0.555306  0.499862  1
  Ni  Ni57  1  0.420981  0.151971  0.428801  1
  Ni  Ni58  1  0.920358  0.851624  0.464545  1
  Ni  Ni59  1  0.086214  0.355557  0.464118  1
  Ni  Ni60  1  0.586329  0.055306  0.499862  1
  Ni  Ni61  1  0.166835  0.102608  0.554053  1
  Ni  Ni62  1  0.666944  0.402778  0.518072  1
  Ni  Ni63  1  0.086329  0.050889  0.500483  1
  Ni  Ni64  1  0.586214  0.750638  0.536226  1
  Ni  Ni65  1  0.339856  0.602608  0.554053  1
  Ni  Ni66  1  0.839746  0.902778  0.518072  1
  Ni  Ni67  1  0.420358  0.254571  0.535800  1
  Ni  Ni68  1  0.920981  0.954224  0.571543  1
  Ni  Ni69  1  0.420362  0.550889  0.500483  1
  Ni  Ni70  1  0.920477  0.250638  0.536226  1
  Ni  Ni71  1  0.086333  0.754571  0.535800  1
  Ni  Ni72  1  0.585710  0.454224  0.571543  1
  Ni  Ni73  1  0.169297  0.500957  0.626293  1
  Ni  Ni74  1  0.666875  0.801724  0.589702  1
  Ni  Ni75  1  0.086673  0.449933  0.572361  1
  Ni  Ni76  1  0.584191  0.149670  0.608099  1
  Ni  Ni77  1  0.337393  0.000957  0.626293  1
  Ni  Ni78  1  0.839816  0.301724  0.589702  1
  Ni  Ni79  1  0.420452  0.654111  0.607828  1
  Ni  Ni80  1  0.919797  0.354969  0.643363  1
  Ni  Ni81  1  0.420018  0.949933  0.572361  1
  Ni  Ni82  1  0.922499  0.649670  0.608099  1
  Ni  Ni83  1  0.086239  0.154111  0.607828  1
  Ni  Ni84  1  0.586894  0.854969  0.643363  1
  Ni  Ni85  1  0.169978  0.897361  0.695498  1
  Ni  Ni86  1  0.666043  0.199670  0.661341  1
  Ni  Ni87  1  0.086518  0.848383  0.644172  1
  Ni  Ni88  1  0.590358  0.545440  0.678535  1
  Ni  Ni89  1  0.336713  0.397361  0.695498  1
  Ni  Ni90  1  0.840647  0.699670  0.661341  1
  Ni  Ni91  1  0.420393  0.056066  0.678367  1
  Ni  Ni92  1  0.929915  0.750360  0.711487  1
  Ni  Ni93  1  0.420173  0.348383  0.644172  1
  Ni  Ni94  1  0.916332  0.045440  0.678535  1
  Ni  Ni95  1  0.086298  0.556066  0.678367  1
  Ni  Ni96  1  0.576775  0.250360  0.711487  1
