# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08386253
_cell_length_b   10.76309497
_cell_length_c   46.00454495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni84
_cell_volume   2022.12978694
_cell_formula_units_Z   84
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  0.252565  0.517391  0.296925  1
  Ni  Ni2  1  0.252565  0.301355  0.277132  1
  Ni  Ni3  1  0.252565  0.912173  0.286954  1
  Ni  Ni4  1  0.752565  0.384853  0.300769  1
  Ni  Ni5  1  0.752565  0.168407  0.280095  1
  Ni  Ni6  1  0.752565  0.777816  0.290546  1
  Ni  Ni7  1  0.252565  0.331901  0.330146  1
  Ni  Ni8  1  0.252565  0.119332  0.308899  1
  Ni  Ni9  1  0.252565  0.726275  0.318971  1
  Ni  Ni10  1  0.752565  0.200773  0.333544  1
  Ni  Ni11  1  0.752565  0.988173  0.312263  1
  Ni  Ni12  1  0.752565  0.594285  0.322385  1
  Ni  Ni13  1  0.252565  0.147379  0.362184  1
  Ni  Ni14  1  0.252565  0.935757  0.340998  1
  Ni  Ni15  1  0.252565  0.542061  0.351277  1
  Ni  Ni16  1  0.752565  0.015515  0.365743  1
  Ni  Ni17  1  0.752565  0.804516  0.344440  1
  Ni  Ni18  1  0.752565  0.410229  0.354865  1
  Ni  Ni19  1  0.252565  0.963239  0.394473  1
  Ni  Ni20  1  0.252565  0.752203  0.372861  1
  Ni  Ni21  1  0.252565  0.358254  0.383643  1
  Ni  Ni22  1  0.752565  0.830835  0.398027  1
  Ni  Ni23  1  0.752565  0.620093  0.376357  1
  Ni  Ni24  1  0.752565  0.225912  0.387278  1
  Ni  Ni25  1  0.252565  0.779184  0.426667  1
  Ni  Ni26  1  0.252565  0.568680  0.405109  1
  Ni  Ni27  1  0.252565  0.174020  0.415910  1
  Ni  Ni28  1  0.752565  0.646667  0.430257  1
  Ni  Ni29  1  0.752565  0.436255  0.408756  1
  Ni  Ni30  1  0.752565  0.041509  0.419549  1
  Ni  Ni31  1  0.252565  0.595116  0.458921  1
  Ni  Ni32  1  0.252565  0.384599  0.437407  1
  Ni  Ni33  1  0.252565  0.989826  0.448194  1
  Ni  Ni34  1  0.752565  0.462574  0.462572  1
  Ni  Ni35  1  0.752565  0.252057  0.441067  1
  Ni  Ni36  1  0.752565  0.857249  0.451816  1
  Ni  Ni37  1  0.252565  0.410970  0.491204  1
  Ni  Ni38  1  0.252565  0.200412  0.469689  1
  Ni  Ni39  1  0.252565  0.805653  0.480455  1
  Ni  Ni40  1  0.752565  0.278392  0.494854  1
  Ni  Ni41  1  0.752565  0.067831  0.473345  1
  Ni  Ni42  1  0.752565  0.673090  0.484089  1
  Ni  Ni43  1  0.252565  0.226772  0.523479  1
  Ni  Ni44  1  0.252565  0.016210  0.501969  1
  Ni  Ni45  1  0.252565  0.621512  0.512734  1
  Ni  Ni46  1  0.752565  0.094191  0.527134  1
  Ni  Ni47  1  0.752565  0.883632  0.505620  1
  Ni  Ni48  1  0.752565  0.488950  0.516369  1
  Ni  Ni49  1  0.252565  0.042546  0.555757  1
  Ni  Ni50  1  0.252565  0.832029  0.534252  1
  Ni  Ni51  1  0.252565  0.437354  0.545007  1
  Ni  Ni52  1  0.752565  0.910004  0.559417  1
  Ni  Ni53  1  0.752565  0.699487  0.537903  1
  Ni  Ni54  1  0.752565  0.304777  0.548630  1
  Ni  Ni55  1  0.252565  0.858348  0.588067  1
  Ni  Ni56  1  0.252565  0.647936  0.566566  1
  Ni  Ni57  1  0.252565  0.253094  0.577275  1
  Ni  Ni58  1  0.752565  0.725922  0.591715  1
  Ni  Ni59  1  0.752565  0.515419  0.570156  1
  Ni  Ni60  1  0.752565  0.120583  0.580913  1
  Ni  Ni61  1  0.252565  0.674510  0.620466  1
  Ni  Ni62  1  0.252565  0.463768  0.598797  1
  Ni  Ni63  1  0.252565  0.068691  0.609546  1
  Ni  Ni64  1  0.752565  0.542400  0.623962  1
  Ni  Ni65  1  0.752565  0.331364  0.602351  1
  Ni  Ni66  1  0.752565  0.936349  0.613180  1
  Ni  Ni67  1  0.252565  0.490087  0.652383  1
  Ni  Ni68  1  0.252565  0.279088  0.631081  1
  Ni  Ni69  1  0.252565  0.884374  0.641959  1
  Ni  Ni70  1  0.752565  0.358846  0.655826  1
  Ni  Ni71  1  0.752565  0.147224  0.634640  1
  Ni  Ni72  1  0.752565  0.752542  0.645547  1
  Ni  Ni73  1  0.252565  0.306430  0.684560  1
  Ni  Ni74  1  0.252565  0.093830  0.663280  1
  Ni  Ni75  1  0.252565  0.700318  0.674438  1
  Ni  Ni76  1  0.752565  0.175271  0.687925  1
  Ni  Ni77  1  0.752565  0.962702  0.666677  1
  Ni  Ni78  1  0.752565  0.568328  0.677852  1
  Ni  Ni79  1  0.252565  0.126196  0.716729  1
  Ni  Ni80  1  0.252565  0.909750  0.696055  1
  Ni  Ni81  1  0.252565  0.516787  0.706278  1
  Ni  Ni82  1  0.752565  0.993248  0.719692  1
  Ni  Ni83  1  0.752565  0.777212  0.699898  1
  Ni  Ni84  1  0.752565  0.382430  0.709870  1
