# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54505714
_cell_length_b   8.59224009
_cell_length_c   51.96446269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.02581183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr24 Ni63'
_cell_volume   2710.01156541
_cell_formula_units_Z   3
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  0.546786  0.242887  0.292423  1
  Zr  Zr2  1  0.605532  0.798990  0.422812  1
  Zr  Zr3  1  0.340422  0.608223  0.359279  1
  Zr  Zr4  1  0.809064  0.436347  0.352904  1
  Zr  Zr5  1  0.320102  0.056650  0.349562  1
  Zr  Zr6  1  0.845921  0.977677  0.363121  1
  Zr  Zr7  1  0.220848  0.350539  0.418248  1
  Zr  Zr8  1  0.950668  0.676309  0.294916  1
  Zr  Zr9  1  0.738399  0.300122  0.432735  1
  Zr  Zr10  1  0.787935  0.860953  0.565925  1
  Zr  Zr11  1  0.529971  0.665314  0.502320  1
  Zr  Zr12  1  0.996573  0.495670  0.496366  1
  Zr  Zr13  1  0.501972  0.118745  0.492461  1
  Zr  Zr14  1  0.024529  0.042241  0.506233  1
  Zr  Zr15  1  0.404272  0.411443  0.561316  1
  Zr  Zr16  1  0.122396  0.749431  0.437373  1
  Zr  Zr17  1  0.921261  0.361610  0.575866  1
  Zr  Zr18  1  0.993862  0.910377  0.705897  1
  Zr  Zr19  1  0.717564  0.726943  0.645535  1
  Zr  Zr20  1  0.186799  0.551506  0.639431  1
  Zr  Zr21  1  0.680734  0.182671  0.635858  1
  Zr  Zr22  1  0.209206  0.105778  0.649335  1
  Zr  Zr23  1  0.583896  0.493374  0.703145  1
  Zr  Zr24  1  0.305392  0.810577  0.580441  1
  Ni  Ni25  1  0.959816  0.994814  0.283338  1
  Ni  Ni26  1  0.928176  0.162609  0.323048  1
  Ni  Ni27  1  0.229412  0.871749  0.389865  1
  Ni  Ni28  1  0.754861  0.453354  0.304533  1
  Ni  Ni29  1  0.429195  0.569063  0.407165  1
  Ni  Ni30  1  0.538286  0.266845  0.339656  1
  Ni  Ni31  1  0.621336  0.769680  0.372964  1
  Ni  Ni32  1  0.595009  0.288639  0.385716  1
  Ni  Ni33  1  0.011321  0.186772  0.387058  1
  Ni  Ni34  1  0.139923  0.853062  0.323504  1
  Ni  Ni35  1  0.962810  0.658300  0.342024  1
  Ni  Ni36  1  0.193657  0.380329  0.369768  1
  Ni  Ni37  1  0.004550  0.679174  0.391499  1
  Ni  Ni38  1  0.158499  0.358290  0.321007  1
  Ni  Ni39  1  0.815994  0.495791  0.399774  1
  Ni  Ni40  1  0.359303  0.545522  0.313275  1
  Ni  Ni41  1  0.833322  0.999290  0.411851  1
  Ni  Ni42  1  0.307111  0.048851  0.300813  1
  Ni  Ni43  1  0.711389  0.962557  0.317714  1
  Ni  Ni44  1  0.447841  0.073978  0.394995  1
  Ni  Ni45  1  0.564798  0.745423  0.325607  1
  Ni  Ni46  1  0.171348  0.050797  0.427889  1
  Ni  Ni47  1  0.115990  0.227994  0.466259  1
  Ni  Ni48  1  0.410463  0.932955  0.532408  1
  Ni  Ni49  1  0.914680  0.530075  0.448645  1
  Ni  Ni50  1  0.611740  0.630809  0.550035  1
  Ni  Ni51  1  0.722852  0.328300  0.482237  1
  Ni  Ni52  1  0.803672  0.832647  0.516444  1
  Ni  Ni53  1  0.777670  0.350246  0.528595  1
  Ni  Ni54  1  0.194555  0.247575  0.530174  1
  Ni  Ni55  1  0.331932  0.913398  0.468499  1
  Ni  Ni56  1  0.147272  0.721070  0.486002  1
  Ni  Ni57  1  0.379293  0.439911  0.512689  1
  Ni  Ni58  1  0.188823  0.739497  0.534421  1
  Ni  Ni59  1  0.337631  0.421480  0.464266  1
  Ni  Ni60  1  0.997976  0.557682  0.542686  1
  Ni  Ni61  1  0.528546  0.603228  0.456024  1
  Ni  Ni62  1  0.015537  0.060416  0.554930  1
  Ni  Ni63  1  0.510908  0.100552  0.443805  1
  Ni  Ni64  1  0.897029  0.025316  0.460821  1
  Ni  Ni65  1  0.629594  0.135702  0.537875  1
  Ni  Ni66  1  0.748897  0.810735  0.470089  1
  Ni  Ni67  1  0.355113  0.110171  0.570739  1
  Ni  Ni68  1  0.297616  0.289083  0.608758  1
  Ni  Ni69  1  0.600735  1.000376  0.676704  1
  Ni  Ni70  1  0.097068  0.591848  0.591560  1
  Ni  Ni71  1  0.783037  0.705617  0.693307  1
  Ni  Ni72  1  0.905249  0.391276  0.625612  1
  Ni  Ni73  1  0.990211  0.895047  0.659015  1
  Ni  Ni74  1  0.965914  0.414125  0.672886  1
  Ni  Ni75  1  0.390028  0.308143  0.676212  1
  Ni  Ni76  1  0.514885  0.974414  0.611481  1
  Ni  Ni77  1  0.332531  0.780447  0.628817  1
  Ni  Ni78  1  0.565186  0.502681  0.656398  1
  Ni  Ni79  1  0.373257  0.804370  0.677411  1
  Ni  Ni80  1  0.522382  0.481044  0.607085  1
  Ni  Ni81  1  0.176778  0.614188  0.685125  1
  Ni  Ni82  1  0.709933  0.665011  0.598815  1
  Ni  Ni83  1  0.208913  0.113213  0.697138  1
  Ni  Ni84  1  0.693680  0.161633  0.586932  1
  Ni  Ni85  1  0.079001  0.086954  0.603859  1
  Ni  Ni86  1  0.814819  0.199150  0.681339  1
  Ni  Ni87  1  0.931577  0.872474  0.612872  1
