# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53266328
_cell_length_b   7.73665058
_cell_length_c   56.33649370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.67480356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr24 Ni63'
_cell_volume   2754.41794064
_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  0.529596  0.446727  0.322211  1
  Zr  Zr2  1  0.619782  0.441783  0.395032  1
  Zr  Zr3  1  0.379465  0.875039  0.370901  1
  Zr  Zr4  1  0.779204  0.065545  0.346422  1
  Zr  Zr5  1  0.123700  0.144311  0.295596  1
  Zr  Zr6  1  0.042213  0.823297  0.425357  1
  Zr  Zr7  1  0.045673  0.628990  0.332174  1
  Zr  Zr8  1  0.099077  0.327868  0.387433  1
  Zr  Zr9  1  0.988105  0.313582  0.465794  1
  Zr  Zr10  1  0.115808  0.351099  0.537327  1
  Zr  Zr11  1  0.856857  0.806562  0.512798  1
  Zr  Zr12  1  0.246942  0.858104  0.490344  1
  Zr  Zr13  1  0.581895  0.926135  0.436061  1
  Zr  Zr14  1  0.521996  0.738460  0.567037  1
  Zr  Zr15  1  0.525302  0.416082  0.473237  1
  Zr  Zr16  1  0.578676  0.248631  0.529898  1
  Zr  Zr17  1  0.484063  0.222343  0.608272  1
  Zr  Zr18  1  0.579975  0.220188  0.679731  1
  Zr  Zr19  1  0.321585  0.599042  0.656801  1
  Zr  Zr20  1  0.722907  0.789347  0.632439  1
  Zr  Zr21  1  0.061788  0.841448  0.577787  1
  Zr  Zr22  1  0.979812  0.521481  0.707194  1
  Zr  Zr23  1  0.005899  0.336684  0.615608  1
  Zr  Zr24  1  0.059141  0.036179  0.671105  1
  Ni  Ni25  1  0.861867  0.584959  0.287967  1
  Ni  Ni26  1  0.837345  0.299099  0.309912  1
  Ni  Ni27  1  0.333123  0.652711  0.407917  1
  Ni  Ni28  1  0.789599  0.389351  0.355573  1
  Ni  Ni29  1  0.375320  0.551377  0.361946  1
  Ni  Ni30  1  0.466270  0.083312  0.319547  1
  Ni  Ni31  1  0.703673  0.795710  0.395778  1
  Ni  Ni32  1  0.449127  0.762618  0.324902  1
  Ni  Ni33  1  0.815011  0.851469  0.310339  1
  Ni  Ni34  1  0.340832  0.100909  0.407774  1
  Ni  Ni35  1  0.026034  0.978257  0.379979  1
  Ni  Ni36  1  0.131763  0.973530  0.337236  1
  Ni  Ni37  1  0.007595  0.648701  0.382636  1
  Ni  Ni38  1  0.138409  0.307511  0.336941  1
  Ni  Ni39  1  0.747690  0.726036  0.354194  1
  Ni  Ni40  1  0.403774  0.207780  0.361955  1
  Ni  Ni41  1  0.965771  0.479906  0.425222  1
  Ni  Ni42  1  0.206484  0.503851  0.296297  1
  Ni  Ni43  1  0.974670  0.134326  0.425060  1
  Ni  Ni44  1  0.188834  0.834640  0.295795  1
  Ni  Ni45  1  0.710920  0.122290  0.393858  1
  Ni  Ni46  1  0.306246  0.371297  0.430829  1
  Ni  Ni47  1  0.285206  0.089324  0.453224  1
  Ni  Ni48  1  0.818643  0.575230  0.549931  1
  Ni  Ni49  1  0.251185  0.188855  0.497658  1
  Ni  Ni50  1  0.852752  0.475869  0.505481  1
  Ni  Ni51  1  0.915062  0.968949  0.467122  1
  Ni  Ni52  1  0.188696  0.695763  0.536014  1
  Ni  Ni53  1  0.911684  0.642539  0.466611  1
  Ni  Ni54  1  0.279089  0.643676  0.452251  1
  Ni  Ni55  1  0.824833  0.021011  0.550891  1
  Ni  Ni56  1  0.519683  0.909397  0.522852  1
  Ni  Ni57  1  0.584182  0.755319  0.480279  1
  Ni  Ni58  1  0.507039  0.573691  0.522078  1
  Ni  Ni59  1  0.596818  0.090958  0.481059  1
  Ni  Ni60  1  0.220624  0.534670  0.496098  1
  Ni  Ni61  1  0.883281  0.130019  0.507031  1
  Ni  Ni62  1  0.456488  0.400306  0.567710  1
  Ni  Ni63  1  0.647286  0.264109  0.435447  1
  Ni  Ni64  1  0.459044  0.054776  0.567214  1
  Ni  Ni65  1  0.645123  0.609936  0.435890  1
  Ni  Ni66  1  0.192225  0.022168  0.536520  1
  Ni  Ni67  1  0.797532  0.293254  0.572357  1
  Ni  Ni68  1  0.770669  0.011525  0.595262  1
  Ni  Ni69  1  0.267414  0.362033  0.693283  1
  Ni  Ni70  1  0.732602  0.112531  0.641038  1
  Ni  Ni71  1  0.313592  0.275980  0.647525  1
  Ni  Ni72  1  0.399577  0.868901  0.607275  1
  Ni  Ni73  1  0.636347  0.581559  0.683450  1
  Ni  Ni74  1  0.393150  0.542713  0.609217  1
  Ni  Ni75  1  0.762917  0.563998  0.595376  1
  Ni  Ni76  1  0.288042  0.817520  0.692691  1
  Ni  Ni77  1  0.971039  0.691976  0.665810  1
  Ni  Ni78  1  0.077331  0.686217  0.623127  1
  Ni  Ni79  1  0.967552  0.356982  0.666078  1
  Ni  Ni80  1  0.094550  0.015310  0.620770  1
  Ni  Ni81  1  0.701732  0.457073  0.641097  1
  Ni  Ni82  1  0.357038  0.940045  0.648810  1
  Ni  Ni83  1  0.893709  0.160829  0.706454  1
  Ni  Ni84  1  0.138250  0.184435  0.577892  1
  Ni  Ni85  1  0.911249  0.829439  0.706586  1
  Ni  Ni86  1  0.129232  0.530424  0.578053  1
  Ni  Ni87  1  0.654529  0.902609  0.678056  1
