# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27359060
_cell_length_b   8.55516383
_cell_length_c   46.81890302
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.52068431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1657.38952036
_cell_formula_units_Z   68
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
  Ni  Ni1  1  0.009050  0.137877  0.284772  1
  Ni  Ni2  1  0.765530  0.622903  0.296569  1
  Ni  Ni3  1  0.468709  0.897095  0.279469  1
  Ni  Ni4  1  0.237944  0.378773  0.290971  1
  Ni  Ni5  1  0.526321  0.113995  0.310886  1
  Ni  Ni6  1  0.280276  0.602516  0.323160  1
  Ni  Ni7  1  0.987411  0.866043  0.303656  1
  Ni  Ni8  1  0.745084  0.358011  0.317165  1
  Ni  Ni9  1  0.039977  0.089756  0.336991  1
  Ni  Ni10  1  0.794078  0.580146  0.349841  1
  Ni  Ni11  1  0.498023  0.845927  0.330835  1
  Ni  Ni12  1  0.253479  0.335611  0.343589  1
  Ni  Ni13  1  0.550601  0.069025  0.363315  1
  Ni  Ni14  1  0.305852  0.558021  0.376125  1
  Ni  Ni15  1  0.008383  0.824296  0.356657  1
  Ni  Ni16  1  0.764832  0.313261  0.369713  1
  Ni  Ni17  1  0.061958  0.046611  0.389604  1
  Ni  Ni18  1  0.817291  0.535504  0.402592  1
  Ni  Ni19  1  0.519917  0.802019  0.383104  1
  Ni  Ni20  1  0.275745  0.291306  0.396140  1
  Ni  Ni21  1  0.573079  0.024481  0.415935  1
  Ni  Ni22  1  0.328492  0.513511  0.428959  1
  Ni  Ni23  1  0.031165  0.779849  0.409315  1
  Ni  Ni24  1  0.786806  0.268981  0.422432  1
  Ni  Ni25  1  0.084169  1.002253  0.442240  1
  Ni  Ni26  1  0.839614  0.491234  0.455326  1
  Ni  Ni27  1  0.542349  0.757748  0.435675  1
  Ni  Ni28  1  0.297818  0.246842  0.448786  1
  Ni  Ni29  1  0.595188  0.980147  0.468577  1
  Ni  Ni30  1  0.350632  0.469159  0.481680  1
  Ni  Ni31  1  0.053376  0.735636  0.461983  1
  Ni  Ni32  1  0.808819  0.224658  0.475107  1
  Ni  Ni33  1  0.106187  0.958021  0.494897  1
  Ni  Ni34  1  0.861612  0.447035  0.508017  1
  Ni  Ni35  1  0.564396  0.713536  0.488328  1
  Ni  Ni36  1  0.319822  0.202551  0.501448  1
  Ni  Ni37  1  0.617190  0.935914  0.521238  1
  Ni  Ni38  1  0.372633  0.424936  0.534361  1
  Ni  Ni39  1  0.075376  0.691412  0.514665  1
  Ni  Ni40  1  0.830821  0.180424  0.527768  1
  Ni  Ni41  1  0.128190  0.913730  0.547558  1
  Ni  Ni42  1  0.883660  0.402824  0.560669  1
  Ni  Ni43  1  0.586394  0.669337  0.541018  1
  Ni  Ni44  1  0.341839  0.158318  0.554104  1
  Ni  Ni45  1  0.639203  0.891590  0.573913  1
  Ni  Ni46  1  0.394844  0.380723  0.587030  1
  Ni  Ni47  1  0.097517  0.647060  0.567386  1
  Ni  Ni48  1  0.852929  0.136090  0.580410  1
  Ni  Ni49  1  0.150264  0.869265  0.600205  1
  Ni  Ni50  1  0.906092  0.358553  0.613240  1
  Ni  Ni51  1  0.608717  0.625068  0.593752  1
  Ni  Ni52  1  0.364051  0.113961  0.606741  1
  Ni  Ni53  1  0.661176  0.847310  0.626632  1
  Ni  Ni54  1  0.417626  0.336275  0.639688  1
  Ni  Ni55  1  0.120156  0.602550  0.620219  1
  Ni  Ni56  1  0.875408  0.091547  0.633030  1
  Ni  Ni57  1  0.172529  0.824960  0.652756  1
  Ni  Ni58  1  0.927986  0.314644  0.665509  1
  Ni  Ni59  1  0.631930  0.580426  0.646504  1
  Ni  Ni60  1  0.386032  0.070816  0.659354  1
  Ni  Ni61  1  0.680925  0.802561  0.679180  1
  Ni  Ni62  1  0.438597  0.294528  0.692689  1
  Ni  Ni63  1  0.145733  0.558055  0.673185  1
  Ni  Ni64  1  0.899688  0.046576  0.685459  1
  Ni  Ni65  1  0.188064  0.781798  0.705374  1
  Ni  Ni66  1  0.957299  0.263476  0.716876  1
  Ni  Ni67  1  0.660478  0.537668  0.699776  1
  Ni  Ni68  1  0.416958  0.022695  0.711573  1
