# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28602835
_cell_length_b   13.90185252
_cell_length_c   46.95872262
_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   2797.97603794
_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  0.753429  0.324047  0.360983  1
  Zr  Zr2  1  0.753429  0.047453  0.287195  1
  Zr  Zr3  1  0.753429  0.682001  0.322962  1
  Zr  Zr4  1  0.253429  0.246165  0.297870  1
  Zr  Zr5  1  0.253429  0.896745  0.335899  1
  Zr  Zr6  1  0.253429  0.538230  0.373297  1
  Zr  Zr7  1  0.753429  0.252934  0.472273  1
  Zr  Zr8  1  0.753429  0.967076  0.398824  1
  Zr  Zr9  1  0.753429  0.610548  0.434804  1
  Zr  Zr10  1  0.253429  0.181114  0.410767  1
  Zr  Zr11  1  0.253429  0.823190  0.447161  1
  Zr  Zr12  1  0.253429  0.466931  0.484516  1
  Zr  Zr13  1  0.753429  0.181071  0.583120  1
  Zr  Zr14  1  0.753429  0.895254  0.509371  1
  Zr  Zr15  1  0.753429  0.538995  0.546727  1
  Zr  Zr16  1  0.253429  0.109251  0.521615  1
  Zr  Zr17  1  0.253429  0.751637  0.559084  1
  Zr  Zr18  1  0.253429  0.395109  0.595063  1
  Zr  Zr19  1  0.753429  0.116020  0.696018  1
  Zr  Zr20  1  0.753429  0.823955  0.620590  1
  Zr  Zr21  1  0.753429  0.465440  0.657988  1
  Zr  Zr22  1  0.253429  0.038138  0.632905  1
  Zr  Zr23  1  0.253429  0.680184  0.670926  1
  Zr  Zr24  1  0.253429  0.314733  0.706692  1
  Ni  Ni25  1  0.753429  0.359198  0.305405  1
  Ni  Ni26  1  0.753429  0.006337  0.342484  1
  Ni  Ni27  1  0.753429  0.647568  0.378705  1
  Ni  Ni28  1  0.253429  0.433414  0.283373  1
  Ni  Ni29  1  0.253429  0.075553  0.319567  1
  Ni  Ni30  1  0.253429  0.717363  0.354974  1
  Ni  Ni31  1  0.253429  0.216378  0.354126  1
  Ni  Ni32  1  0.253429  0.935215  0.282528  1
  Ni  Ni33  1  0.253429  0.572536  0.317043  1
  Ni  Ni34  1  0.753429  0.145726  0.379267  1
  Ni  Ni35  1  0.753429  0.865178  0.305605  1
  Ni  Ni36  1  0.753429  0.501569  0.341021  1
  Ni  Ni37  1  0.753429  0.181257  0.325257  1
  Ni  Ni38  1  0.753429  0.823551  0.360966  1
  Ni  Ni39  1  0.753429  0.529547  0.288638  1
  Ni  Ni40  1  0.253429  0.394520  0.334570  1
  Ni  Ni41  1  0.253429  0.039648  0.373228  1
  Ni  Ni42  1  0.253429  0.754546  0.299965  1
  Ni  Ni43  1  0.753429  0.290655  0.416838  1
  Ni  Ni44  1  0.753429  0.932536  0.454056  1
  Ni  Ni45  1  0.753429  0.576388  0.490938  1
  Ni  Ni46  1  0.253429  0.359435  0.392338  1
  Ni  Ni47  1  0.253429  0.002635  0.429632  1
  Ni  Ni48  1  0.253429  0.645234  0.466362  1
  Ni  Ni49  1  0.253429  0.143407  0.466076  1
  Ni  Ni50  1  0.253429  0.858237  0.391412  1
  Ni  Ni51  1  0.253429  0.500592  0.428802  1
  Ni  Ni52  1  0.753429  0.073502  0.490415  1
  Ni  Ni53  1  0.753429  0.787881  0.415747  1
  Ni  Ni54  1  0.753429  0.431619  0.453358  1
  Ni  Ni55  1  0.753429  0.109191  0.435803  1
  Ni  Ni56  1  0.753429  0.751832  0.472682  1
  Ni  Ni57  1  0.753429  0.466466  0.398671  1
  Ni  Ni58  1  0.253429  0.324988  0.447146  1
  Ni  Ni59  1  0.253429  0.966806  0.484226  1
  Ni  Ni60  1  0.253429  0.681609  0.409602  1
  Ni  Ni61  1  0.753429  0.218778  0.527811  1
  Ni  Ni62  1  0.753429  0.861593  0.565085  1
  Ni  Ni63  1  0.753429  0.503949  0.602475  1
  Ni  Ni64  1  0.253429  0.288684  0.503472  1
  Ni  Ni65  1  0.253429  0.930566  0.540530  1
  Ni  Ni66  1  0.253429  0.574304  0.578140  1
  Ni  Ni67  1  0.253429  0.071530  0.577049  1
  Ni  Ni68  1  0.253429  0.785797  0.502950  1
  Ni  Ni69  1  0.253429  0.429649  0.539831  1
  Ni  Ni70  1  0.753429  0.002750  0.601549  1
  Ni  Ni71  1  0.753429  0.716951  0.527525  1
  Ni  Ni72  1  0.753429  0.359551  0.564255  1
  Ni  Ni73  1  0.753429  0.037197  0.546741  1
  Ni  Ni74  1  0.753429  0.680576  0.584285  1
  Ni  Ni75  1  0.753429  0.395379  0.509662  1
  Ni  Ni76  1  0.253429  0.252994  0.558085  1
  Ni  Ni77  1  0.253429  0.895720  0.595217  1
  Ni  Ni78  1  0.253429  0.610354  0.521205  1
  Ni  Ni79  1  0.753429  0.145807  0.639761  1
  Ni  Ni80  1  0.753429  0.789649  0.676844  1
  Ni  Ni81  1  0.753429  0.426970  0.711359  1
  Ni  Ni82  1  0.253429  0.216459  0.614621  1
  Ni  Ni83  1  0.253429  0.860616  0.652866  1
  Ni  Ni84  1  0.253429  0.497008  0.688282  1
  Ni  Ni85  1  0.253429  0.002987  0.688482  1
  Ni  Ni86  1  0.253429  0.714618  0.615182  1
  Ni  Ni87  1  0.253429  0.355849  0.651403  1
  Ni  Ni88  1  0.753429  0.928771  0.710515  1
  Ni  Ni89  1  0.753429  0.644822  0.638913  1
  Ni  Ni90  1  0.753429  0.286632  0.674321  1
  Ni  Ni91  1  0.753429  0.967665  0.659318  1
  Ni  Ni92  1  0.753429  0.607639  0.693922  1
  Ni  Ni93  1  0.753429  0.322537  0.620659  1
  Ni  Ni94  1  0.253429  0.180929  0.668631  1
  Ni  Ni95  1  0.253429  0.832638  0.705250  1
  Ni  Ni96  1  0.253429  0.538635  0.632922  1
