# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25301333
_cell_length_b   10.10336769
_cell_length_c   50.75940124
_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   2693.96005336
_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  0.502654  0.825920  0.276618  1
  Zr  Zr2  1  0.002654  0.412074  0.313730  1
  Zr  Zr3  1  0.002654  0.044739  0.298617  1
  Zr  Zr4  1  0.502654  0.640251  0.340021  1
  Zr  Zr5  1  0.502654  0.002931  0.352293  1
  Zr  Zr6  1  0.002654  0.594483  0.390574  1
  Zr  Zr7  1  0.002654  0.229682  0.377444  1
  Zr  Zr8  1  0.502654  0.821259  0.416371  1
  Zr  Zr9  1  0.502654  0.184864  0.428944  1
  Zr  Zr10  1  0.002654  0.775543  0.467673  1
  Zr  Zr11  1  0.002654  0.411113  0.454710  1
  Zr  Zr12  1  0.502654  0.002048  0.493443  1
  Zr  Zr13  1  0.502654  0.365826  0.506119  1
  Zr  Zr14  1  0.002654  0.956761  0.544852  1
  Zr  Zr15  1  0.002654  0.592331  0.531889  1
  Zr  Zr16  1  0.502654  0.183010  0.570618  1
  Zr  Zr17  1  0.502654  0.546615  0.583190  1
  Zr  Zr18  1  0.002654  0.138192  0.622117  1
  Zr  Zr19  1  0.002654  0.773391  0.608987  1
  Zr  Zr20  1  0.502654  0.364943  0.647269  1
  Zr  Zr21  1  0.502654  0.727624  0.659541  1
  Zr  Zr22  1  0.002654  0.323135  0.700944  1
  Zr  Zr23  1  0.002654  0.955800  0.685831  1
  Zr  Zr24  1  0.502654  0.541954  0.722944  1
  Ni  Ni25  1  0.751656  0.208113  0.331947  1
  Ni  Ni26  1  0.257115  0.613499  0.295293  1
  Ni  Ni27  1  0.502654  0.051200  0.301625  1
  Ni  Ni28  1  0.002654  0.641792  0.338733  1
  Ni  Ni29  1  0.755469  0.841872  0.320070  1
  Ni  Ni30  1  0.256448  0.256409  0.283474  1
  Ni  Ni31  1  0.002654  0.802517  0.277544  1
  Ni  Ni32  1  0.502654  0.409387  0.314021  1
  Ni  Ni33  1  0.253653  0.208113  0.331947  1
  Ni  Ni34  1  0.748194  0.613499  0.295293  1
  Ni  Ni35  1  0.249840  0.841872  0.320070  1
  Ni  Ni36  1  0.748861  0.256409  0.283474  1
  Ni  Ni37  1  0.749420  0.390053  0.409526  1
  Ni  Ni38  1  0.248003  0.800982  0.371297  1
  Ni  Ni39  1  0.502654  0.232452  0.377080  1
  Ni  Ni40  1  0.002654  0.822772  0.416263  1
  Ni  Ni41  1  0.756901  0.024801  0.397028  1
  Ni  Ni42  1  0.255193  0.433849  0.358300  1
  Ni  Ni43  1  0.002654  0.001793  0.351249  1
  Ni  Ni44  1  0.502654  0.592138  0.390985  1
  Ni  Ni45  1  0.255889  0.390053  0.409526  1
  Ni  Ni46  1  0.757306  0.800982  0.371297  1
  Ni  Ni47  1  0.248408  0.024801  0.397028  1
  Ni  Ni48  1  0.750116  0.433849  0.358300  1
  Ni  Ni49  1  0.749200  0.571630  0.486763  1
  Ni  Ni50  1  0.249165  0.981549  0.448297  1
  Ni  Ni51  1  0.502654  0.412987  0.454546  1
  Ni  Ni52  1  0.002654  0.003852  0.493265  1
  Ni  Ni53  1  0.756102  0.205522  0.474169  1
  Ni  Ni54  1  0.256016  0.614913  0.435716  1
  Ni  Ni55  1  0.002654  0.183018  0.429168  1
  Ni  Ni56  1  0.502654  0.773723  0.467859  1
  Ni  Ni57  1  0.256109  0.571630  0.486763  1
  Ni  Ni58  1  0.756144  0.981549  0.448297  1
  Ni  Ni59  1  0.249207  0.205522  0.474169  1
  Ni  Ni60  1  0.749293  0.614913  0.435716  1
  Ni  Ni61  1  0.749293  0.752962  0.563845  1
  Ni  Ni62  1  0.249207  0.162352  0.525392  1
  Ni  Ni63  1  0.502654  0.594151  0.531702  1
  Ni  Ni64  1  0.002654  0.184857  0.570394  1
  Ni  Ni65  1  0.756144  0.386325  0.551264  1
  Ni  Ni66  1  0.256109  0.796245  0.512799  1
  Ni  Ni67  1  0.002654  0.364022  0.506297  1
  Ni  Ni68  1  0.502654  0.954888  0.545015  1
  Ni  Ni69  1  0.256016  0.752962  0.563845  1
  Ni  Ni70  1  0.756102  0.162352  0.525392  1
  Ni  Ni71  1  0.249165  0.386325  0.551264  1
  Ni  Ni72  1  0.749200  0.796245  0.512799  1
  Ni  Ni73  1  0.750116  0.934025  0.641261  1
  Ni  Ni74  1  0.248408  0.343073  0.602533  1
  Ni  Ni75  1  0.502654  0.775737  0.608576  1
  Ni  Ni76  1  0.002654  0.366081  0.648312  1
  Ni  Ni77  1  0.757306  0.566893  0.628265  1
  Ni  Ni78  1  0.255889  0.977821  0.590035  1
  Ni  Ni79  1  0.002654  0.545102  0.583298  1
  Ni  Ni80  1  0.502654  0.135422  0.622482  1
  Ni  Ni81  1  0.255193  0.934025  0.641261  1
  Ni  Ni82  1  0.756901  0.343073  0.602533  1
  Ni  Ni83  1  0.248003  0.566893  0.628265  1
  Ni  Ni84  1  0.749420  0.977821  0.590035  1
  Ni  Ni85  1  0.748861  0.111466  0.716088  1
  Ni  Ni86  1  0.249840  0.526002  0.679491  1
  Ni  Ni87  1  0.502654  0.958488  0.685540  1
  Ni  Ni88  1  0.002654  0.565358  0.722017  1
  Ni  Ni89  1  0.748194  0.754375  0.704269  1
  Ni  Ni90  1  0.253653  0.159761  0.667615  1
  Ni  Ni91  1  0.002654  0.726082  0.660828  1
  Ni  Ni92  1  0.502654  0.316674  0.697937  1
  Ni  Ni93  1  0.256448  0.111466  0.716088  1
  Ni  Ni94  1  0.755469  0.526002  0.679491  1
  Ni  Ni95  1  0.257115  0.754375  0.704269  1
  Ni  Ni96  1  0.751656  0.159761  0.667615  1
