# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96578986
_cell_length_b   11.07494880
_cell_length_c   48.55892393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni108
_cell_volume   2602.92060435
_cell_formula_units_Z   108
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  0.803095  0.022585  0.294226  1
  Ni  Ni2  1  0.961395  0.341250  0.310883  1
  Ni  Ni3  1  0.651106  0.715489  0.278845  1
  Ni  Ni4  1  0.121094  0.155692  0.328246  1
  Ni  Ni5  1  0.806588  0.526443  0.294119  1
  Ni  Ni6  1  0.964558  0.842588  0.311968  1
  Ni  Ni7  1  0.147797  0.208953  0.279525  1
  Ni  Ni8  1  0.306518  0.526313  0.294115  1
  Ni  Ni9  1  0.464073  0.841576  0.312107  1
  Ni  Ni10  1  0.306002  0.022533  0.294230  1
  Ni  Ni11  1  0.466497  0.341240  0.310875  1
  Ni  Ni12  1  0.151012  0.715498  0.278846  1
  Ni  Ni13  1  0.280149  0.973585  0.344976  1
  Ni  Ni14  1  0.437634  0.288421  0.361065  1
  Ni  Ni15  1  0.121342  0.656346  0.328223  1
  Ni  Ni16  1  0.595664  0.105031  0.377843  1
  Ni  Ni17  1  0.279335  0.472204  0.344396  1
  Ni  Ni18  1  0.437433  0.788498  0.361521  1
  Ni  Ni19  1  0.621524  0.156579  0.327128  1
  Ni  Ni20  1  0.779757  0.473061  0.344622  1
  Ni  Ni21  1  0.937438  0.788515  0.361466  1
  Ni  Ni22  1  0.779874  0.973593  0.344974  1
  Ni  Ni23  1  0.937147  0.288419  0.361067  1
  Ni  Ni24  1  0.621523  0.656345  0.328223  1
  Ni  Ni25  1  0.753137  0.920207  0.394788  1
  Ni  Ni26  1  0.910823  0.235716  0.411323  1
  Ni  Ni27  1  0.594859  0.603823  0.378029  1
  Ni  Ni28  1  0.068773  0.051456  0.428113  1
  Ni  Ni29  1  0.752869  0.419515  0.394589  1
  Ni  Ni30  1  0.910832  0.735509  0.411379  1
  Ni  Ni31  1  0.095507  0.104712  0.378175  1
  Ni  Ni32  1  0.252852  0.419480  0.394536  1
  Ni  Ni33  1  0.410833  0.735509  0.411401  1
  Ni  Ni34  1  0.253293  0.920204  0.394788  1
  Ni  Ni35  1  0.411053  0.235717  0.411322  1
  Ni  Ni36  1  0.095263  0.603823  0.378028  1
  Ni  Ni37  1  0.226526  0.866989  0.444735  1
  Ni  Ni38  1  0.384360  0.182699  0.461393  1
  Ni  Ni39  1  0.068575  0.551008  0.427992  1
  Ni  Ni40  1  0.542108  0.998338  0.478063  1
  Ni  Ni41  1  0.226455  0.366889  0.444675  1
  Ni  Ni42  1  0.384234  0.682522  0.461375  1
  Ni  Ni43  1  0.568818  0.051547  0.428019  1
  Ni  Ni44  1  0.726461  0.366902  0.444691  1
  Ni  Ni45  1  0.884237  0.682527  0.461369  1
  Ni  Ni46  1  0.726481  0.866990  0.444735  1
  Ni  Ni47  1  0.884289  0.182699  0.461393  1
  Ni  Ni48  1  0.568518  0.551008  0.427992  1
  Ni  Ni49  1  0.699864  0.813947  0.494739  1
  Ni  Ni50  1  0.857669  0.129628  0.511412  1
  Ni  Ni51  1  0.542061  0.498254  0.478046  1
  Ni  Ni52  1  0.015494  0.945319  0.528090  1
  Ni  Ni53  1  0.699898  0.313986  0.494735  1
  Ni  Ni54  1  0.857696  0.629653  0.511413  1
  Ni  Ni55  1  0.042098  0.998318  0.478084  1
  Ni  Ni56  1  0.199896  0.313981  0.494731  1
  Ni  Ni57  1  0.357695  0.629649  0.511410  1
  Ni  Ni58  1  0.199891  0.813947  0.494739  1
  Ni  Ni59  1  0.357698  0.129628  0.511412  1
  Ni  Ni60  1  0.042073  0.498254  0.478046  1
  Ni  Ni61  1  0.173359  0.761059  0.544781  1
  Ni  Ni62  1  0.331100  0.076633  0.561446  1
  Ni  Ni63  1  0.015491  0.445323  0.528081  1
  Ni  Ni64  1  0.488940  0.892418  0.578195  1
  Ni  Ni65  1  0.173256  0.260912  0.544748  1
  Ni  Ni66  1  0.331130  0.576727  0.561428  1
  Ni  Ni67  1  0.515487  0.945306  0.528105  1
  Ni  Ni68  1  0.673257  0.260914  0.544744  1
  Ni  Ni69  1  0.831135  0.576737  0.561444  1
  Ni  Ni70  1  0.673301  0.761059  0.544781  1
  Ni  Ni71  1  0.831063  0.076634  0.561445  1
  Ni  Ni72  1  0.515504  0.445323  0.528081  1
  Ni  Ni73  1  0.646745  0.708281  0.594822  1
  Ni  Ni74  1  0.804471  0.023752  0.611518  1
  Ni  Ni75  1  0.488837  0.392156  0.578074  1
  Ni  Ni76  1  0.962659  0.840061  0.628133  1
  Ni  Ni77  1  0.646630  0.207871  0.594779  1
  Ni  Ni78  1  0.804412  0.523503  0.611381  1
  Ni  Ni79  1  0.988974  0.892488  0.578118  1
  Ni  Ni80  1  0.146637  0.207883  0.594795  1
  Ni  Ni81  1  0.304405  0.523487  0.611328  1
  Ni  Ni82  1  0.146933  0.708282  0.594822  1
  Ni  Ni83  1  0.304600  0.023750  0.611518  1
  Ni  Ni84  1  0.988779  0.392156  0.578074  1
  Ni  Ni85  1  0.120202  0.654885  0.644693  1
  Ni  Ni86  1  0.278607  0.972000  0.661739  1
  Ni  Ni87  1  0.961873  0.338943  0.628121  1
  Ni  Ni88  1  0.435517  0.785987  0.678367  1
  Ni  Ni89  1  0.119897  0.154616  0.644888  1
  Ni  Ni90  1  0.277810  0.470501  0.661079  1
  Ni  Ni91  1  0.462536  0.839813  0.628407  1
  Ni  Ni92  1  0.619879  0.154585  0.644851  1
  Ni  Ni93  1  0.778259  0.471410  0.661309  1
  Ni  Ni94  1  0.619859  0.654883  0.644695  1
  Ni  Ni95  1  0.778507  0.972007  0.661737  1
  Ni  Ni96  1  0.462322  0.338943  0.628121  1
  Ni  Ni97  1  0.590503  0.601965  0.694846  1
  Ni  Ni98  1  0.749066  0.916449  0.711297  1
  Ni  Ni99  1  0.435654  0.286325  0.678016  1
  Ni  Ni100  1  0.908116  0.731310  0.726456  1
  Ni  Ni101  1  0.595146  0.105389  0.695696  1
  Ni  Ni102  1  0.750872  0.416705  0.711058  1
  Ni  Ni103  1  0.935873  0.786719  0.677507  1
  Ni  Ni104  1  0.094602  0.104274  0.695800  1
  Ni  Ni105  1  0.250533  0.416029  0.711038  1
  Ni  Ni106  1  0.096428  0.601957  0.694840  1
  Ni  Ni107  1  0.252273  0.916408  0.711301  1
  Ni  Ni108  1  0.935716  0.286324  0.678017  1
