# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84635916
_cell_length_b   7.84529996
_cell_length_c   45.97964322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni112
_cell_volume   2773.18568927
_cell_formula_units_Z   112
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  0.657309  0.660689  0.316549  1
  Ni  Ni2  1  0.160210  0.157783  0.316549  1
  Ni  Ni3  1  0.242189  0.742734  0.286088  1
  Ni  Ni4  1  0.574156  0.074636  0.347730  1
  Ni  Ni5  1  0.992715  0.994492  0.286306  1
  Ni  Ni6  1  0.493946  0.493260  0.286305  1
  Ni  Ni7  1  0.407276  0.907749  0.316304  1
  Ni  Ni8  1  0.905133  0.405603  0.315414  1
  Ni  Ni9  1  0.700183  0.951766  0.301204  1
  Ni  Ni10  1  0.200175  0.450300  0.301041  1
  Ni  Ni11  1  0.115801  0.866197  0.332375  1
  Ni  Ni12  1  0.616602  0.365480  0.332190  1
  Ni  Ni13  1  0.949797  0.700678  0.301042  1
  Ni  Ni14  1  0.451251  0.200683  0.301203  1
  Ni  Ni15  1  0.365705  0.616294  0.332374  1
  Ni  Ni16  1  0.864998  0.117085  0.332194  1
  Ni  Ni17  1  0.492574  0.492270  0.378724  1
  Ni  Ni18  1  0.991811  0.993034  0.378725  1
  Ni  Ni19  1  0.074148  0.574625  0.347169  1
  Ni  Ni20  1  0.408442  0.908883  0.409980  1
  Ni  Ni21  1  0.825276  0.825760  0.347473  1
  Ni  Ni22  1  0.325284  0.325754  0.347473  1
  Ni  Ni23  1  0.241833  0.742294  0.378772  1
  Ni  Ni24  1  0.742025  0.242490  0.378805  1
  Ni  Ni25  1  0.533709  0.783960  0.363009  1
  Ni  Ni26  1  0.033217  0.284477  0.362746  1
  Ni  Ni27  1  0.950154  0.700477  0.394229  1
  Ni  Ni28  1  0.450164  0.200793  0.394359  1
  Ni  Ni29  1  0.784015  0.533675  0.362745  1
  Ni  Ni30  1  0.283497  0.034172  0.363009  1
  Ni  Ni31  1  0.200027  0.450605  0.394230  1
  Ni  Ni32  1  0.700340  0.950618  0.394359  1
  Ni  Ni33  1  0.324653  0.325196  0.441307  1
  Ni  Ni34  1  0.824770  0.825079  0.441307  1
  Ni  Ni35  1  0.908380  0.408821  0.409900  1
  Ni  Ni36  1  0.241077  0.741486  0.472634  1
  Ni  Ni37  1  0.658609  0.658670  0.409945  1
  Ni  Ni38  1  0.158230  0.159050  0.409945  1
  Ni  Ni39  1  0.074702  0.575128  0.441261  1
  Ni  Ni40  1  0.574736  0.075162  0.441341  1
  Ni  Ni41  1  0.366611  0.616915  0.425662  1
  Ni  Ni42  1  0.866554  0.117044  0.425716  1
  Ni  Ni43  1  0.782975  0.533291  0.456971  1
  Ni  Ni44  1  0.282867  0.033376  0.456974  1
  Ni  Ni45  1  0.616608  0.366989  0.425716  1
  Ni  Ni46  1  0.116481  0.867045  0.425662  1
  Ni  Ni47  1  0.032874  0.283393  0.456971  1
  Ni  Ni48  1  0.532959  0.783284  0.456974  1
  Ni  Ni49  1  0.157408  0.157891  0.503979  1
  Ni  Ni50  1  0.657498  0.657801  0.503979  1
  Ni  Ni51  1  0.741100  0.241510  0.472683  1
  Ni  Ni52  1  0.073785  0.574160  0.535280  1
  Ni  Ni53  1  0.491102  0.491490  0.472659  1
  Ni  Ni54  1  0.991081  0.991512  0.472660  1
  Ni  Ni55  1  0.907450  0.407843  0.503985  1
  Ni  Ni56  1  0.407448  0.907841  0.503975  1
  Ni  Ni57  1  0.199233  0.449681  0.488291  1
  Ni  Ni58  1  0.699286  0.949646  0.488318  1
  Ni  Ni59  1  0.615654  0.366005  0.519661  1
  Ni  Ni60  1  0.115605  0.866028  0.519623  1
  Ni  Ni61  1  0.449245  0.199688  0.488318  1
  Ni  Ni62  1  0.949280  0.699634  0.488290  1
  Ni  Ni63  1  0.865621  0.116038  0.519661  1
  Ni  Ni64  1  0.365644  0.615989  0.519623  1
  Ni  Ni65  1  0.990137  0.990558  0.566627  1
  Ni  Ni66  1  0.490199  0.490496  0.566627  1
  Ni  Ni67  1  0.573810  0.074187  0.535319  1
  Ni  Ni68  1  0.906577  0.406922  0.598102  1
  Ni  Ni69  1  0.323760  0.324218  0.535300  1
  Ni  Ni70  1  0.823841  0.824136  0.535300  1
  Ni  Ni71  1  0.740197  0.240557  0.566677  1
  Ni  Ni72  1  0.240154  0.740511  0.566565  1
  Ni  Ni73  1  0.031926  0.282422  0.551003  1
  Ni  Ni74  1  0.532056  0.782285  0.550972  1
  Ni  Ni75  1  0.448212  0.198781  0.582303  1
  Ni  Ni76  1  0.948442  0.698504  0.582287  1
  Ni  Ni77  1  0.281917  0.032424  0.550972  1
  Ni  Ni78  1  0.782054  0.532294  0.551002  1
  Ni  Ni79  1  0.698427  0.948565  0.582302  1
  Ni  Ni80  1  0.198153  0.448793  0.582288  1
  Ni  Ni81  1  0.823782  0.822671  0.629255  1
  Ni  Ni82  1  0.322345  0.324110  0.629257  1
  Ni  Ni83  1  0.406443  0.906786  0.597931  1
  Ni  Ni84  1  0.739948  0.240255  0.660412  1
  Ni  Ni85  1  0.156321  0.157069  0.598022  1
  Ni  Ni86  1  0.656726  0.656664  0.598021  1
  Ni  Ni87  1  0.572817  0.073151  0.629216  1
  Ni  Ni88  1  0.072709  0.573038  0.629431  1
  Ni  Ni89  1  0.864720  0.115052  0.613663  1
  Ni  Ni90  1  0.364598  0.614959  0.613518  1
  Ni  Ni91  1  0.281200  0.032202  0.644859  1
  Ni  Ni92  1  0.781636  0.531948  0.645187  1
  Ni  Ni93  1  0.114629  0.864929  0.613518  1
  Ni  Ni94  1  0.614719  0.365055  0.613663  1
  Ni  Ni95  1  0.531882  0.781517  0.644858  1
  Ni  Ni96  1  0.031625  0.281959  0.645186  1
  Ni  Ni97  1  0.656620  0.660729  0.691898  1
  Ni  Ni98  1  0.160418  0.156917  0.691896  1
  Ni  Ni99  1  0.240180  0.740483  0.659979  1
  Ni  Ni100  1  0.570837  0.071062  0.721088  1
  Ni  Ni101  1  0.991448  0.991422  0.660211  1
  Ni  Ni102  1  0.491121  0.491752  0.660213  1
  Ni  Ni103  1  0.405489  0.905789  0.690863  1
  Ni  Ni104  1  0.906203  0.406502  0.691539  1
  Ni  Ni105  1  0.700348  0.948656  0.675486  1
  Ni  Ni106  1  0.199004  0.449525  0.676198  1
  Ni  Ni107  1  0.114490  0.864603  0.706467  1
  Ni  Ni108  1  0.613525  0.364844  0.706520  1
  Ni  Ni109  1  0.949208  0.699321  0.676197  1
  Ni  Ni110  1  0.448348  0.200658  0.675491  1
  Ni  Ni111  1  0.364342  0.614754  0.706468  1
  Ni  Ni112  1  0.864571  0.113780  0.706518  1
