# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49563053
_cell_length_b   12.67200343
_cell_length_c   47.15232655
_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   2088.68973252
_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  0.003839  0.539884  0.320546  1
  Ni  Ni2  1  0.003839  0.310495  0.278851  1
  Ni  Ni3  1  0.003839  0.922742  0.298387  1
  Ni  Ni4  1  0.503839  0.425604  0.299266  1
  Ni  Ni5  1  0.503839  0.039596  0.320008  1
  Ni  Ni6  1  0.503839  0.656304  0.341242  1
  Ni  Ni7  1  0.503839  0.615983  0.288780  1
  Ni  Ni8  1  0.503839  0.231739  0.310144  1
  Ni  Ni9  1  0.503839  0.847997  0.330408  1
  Ni  Ni10  1  0.003839  0.348244  0.331043  1
  Ni  Ni11  1  0.003839  0.116850  0.288499  1
  Ni  Ni12  1  0.003839  0.732493  0.309262  1
  Ni  Ni13  1  0.003839  0.386364  0.382851  1
  Ni  Ni14  1  0.003839  0.155517  0.341296  1
  Ni  Ni15  1  0.003839  0.771106  0.361861  1
  Ni  Ni16  1  0.503839  0.270973  0.361946  1
  Ni  Ni17  1  0.503839  0.886221  0.382567  1
  Ni  Ni18  1  0.503839  0.501748  0.403615  1
  Ni  Ni19  1  0.503839  0.463451  0.351721  1
  Ni  Ni20  1  0.503839  0.078456  0.372197  1
  Ni  Ni21  1  0.503839  0.694078  0.393145  1
  Ni  Ni22  1  0.003839  0.193871  0.393163  1
  Ni  Ni23  1  0.003839  0.963347  0.351485  1
  Ni  Ni24  1  0.003839  0.578881  0.372320  1
  Ni  Ni25  1  0.003839  0.232108  0.445208  1
  Ni  Ni26  1  0.003839  0.001531  0.403483  1
  Ni  Ni27  1  0.003839  0.616978  0.424384  1
  Ni  Ni28  1  0.503839  0.116796  0.424340  1
  Ni  Ni29  1  0.503839  0.732228  0.445187  1
  Ni  Ni30  1  0.503839  0.347411  0.466042  1
  Ni  Ni31  1  0.503839  0.309218  0.414000  1
  Ni  Ni32  1  0.503839  0.924509  0.434727  1
  Ni  Ni33  1  0.503839  0.539848  0.455631  1
  Ni  Ni34  1  0.003839  0.039764  0.455584  1
  Ni  Ni35  1  0.003839  0.809325  0.413910  1
  Ni  Ni36  1  0.003839  0.424548  0.434832  1
  Ni  Ni37  1  0.003839  0.077981  0.507684  1
  Ni  Ni38  1  0.003839  0.847476  0.466000  1
  Ni  Ni39  1  0.003839  0.462707  0.486857  1
  Ni  Ni40  1  0.503839  0.962724  0.486836  1
  Ni  Ni41  1  0.503839  0.577998  0.507662  1
  Ni  Ni42  1  0.503839  0.193229  0.528520  1
  Ni  Ni43  1  0.503839  0.155031  0.476434  1
  Ni  Ni44  1  0.503839  0.770399  0.497249  1
  Ni  Ni45  1  0.503839  0.385582  0.518088  1
  Ni  Ni46  1  0.003839  0.885674  0.518086  1
  Ni  Ni47  1  0.003839  0.655123  0.476432  1
  Ni  Ni48  1  0.003839  0.270306  0.497271  1
  Ni  Ni49  1  0.003839  0.923909  0.570180  1
  Ni  Ni50  1  0.003839  0.693295  0.528477  1
  Ni  Ni51  1  0.003839  0.308477  0.549333  1
  Ni  Ni52  1  0.503839  0.808598  0.549311  1
  Ni  Ni53  1  0.503839  0.423727  0.570136  1
  Ni  Ni54  1  0.503839  0.039175  0.591037  1
  Ni  Ni55  1  0.503839  1.000942  0.538935  1
  Ni  Ni56  1  0.503839  0.616157  0.559687  1
  Ni  Ni57  1  0.503839  0.231380  0.580610  1
  Ni  Ni58  1  0.003839  0.731487  0.580520  1
  Ni  Ni59  1  0.003839  0.500857  0.538889  1
  Ni  Ni60  1  0.003839  0.116197  0.559793  1
  Ni  Ni61  1  0.003839  0.769732  0.632573  1
  Ni  Ni62  1  0.003839  0.538958  0.590904  1
  Ni  Ni63  1  0.003839  0.154484  0.611953  1
  Ni  Ni64  1  0.503839  0.654341  0.611669  1
  Ni  Ni65  1  0.503839  0.269600  0.632659  1
  Ni  Ni66  1  0.503839  0.885188  0.653223  1
  Ni  Ni67  1  0.503839  0.846835  0.601357  1
  Ni  Ni68  1  0.503839  0.461825  0.622200  1
  Ni  Ni69  1  0.503839  0.077358  0.643035  1
  Ni  Ni70  1  0.003839  0.577254  0.642799  1
  Ni  Ni71  1  0.003839  0.346627  0.601375  1
  Ni  Ni72  1  0.003839  0.962249  0.622323  1
  Ni  Ni73  1  0.003839  0.615101  0.695254  1
  Ni  Ni74  1  0.003839  0.384401  0.653278  1
  Ni  Ni75  1  0.003839  1.001109  0.674512  1
  Ni  Ni76  1  0.503839  0.500821  0.673973  1
  Ni  Ni77  1  0.503839  0.117963  0.696133  1
  Ni  Ni78  1  0.503839  0.730210  0.715668  1
  Ni  Ni79  1  0.503839  0.692461  0.663476  1
  Ni  Ni80  1  0.503839  0.308212  0.685258  1
  Ni  Ni81  1  0.503839  0.923855  0.706021  1
  Ni  Ni82  1  0.003839  0.424723  0.705740  1
  Ni  Ni83  1  0.003839  0.192709  0.664112  1
  Ni  Ni84  1  0.003839  0.808967  0.684376  1
