# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96363052
_cell_length_b   7.84071970
_cell_length_c   47.00897444
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni72
_cell_volume   1735.6310304
_cell_formula_units_Z   72
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  0.948637  0.393822  0.275758  1
  Ni  Ni2  1  0.168735  0.833984  0.298536  1
  Ni  Ni3  1  0.283858  0.557895  0.311455  1
  Ni  Ni4  1  0.062001  0.116924  0.286929  1
  Ni  Ni5  1  0.777482  0.557901  0.311458  1
  Ni  Ni6  1  0.558395  0.116958  0.286927  1
  Ni  Ni7  1  0.891652  0.279910  0.324805  1
  Ni  Ni8  1  0.670040  0.836609  0.298516  1
  Ni  Ni9  1  0.392417  0.281450  0.324017  1
  Ni  Ni10  1  0.614717  0.726113  0.349173  1
  Ni  Ni11  1  0.725577  0.448143  0.361708  1
  Ni  Ni12  1  0.502429  0.001978  0.336566  1
  Ni  Ni13  1  0.225853  0.448144  0.361707  1
  Ni  Ni14  1  0.002903  0.001971  0.336567  1
  Ni  Ni15  1  0.336499  0.169751  0.373972  1
  Ni  Ni16  1  0.114066  0.724801  0.348938  1
  Ni  Ni17  1  0.836159  0.169069  0.374215  1
  Ni  Ni18  1  0.058602  0.614021  0.399151  1
  Ni  Ni19  1  0.169602  0.335924  0.411640  1
  Ni  Ni20  1  0.947729  0.891596  0.386608  1
  Ni  Ni21  1  0.669466  0.335923  0.411640  1
  Ni  Ni22  1  0.447083  0.891598  0.386607  1
  Ni  Ni23  1  0.780526  0.057942  0.424165  1
  Ni  Ni24  1  0.558612  0.614044  0.399195  1
  Ni  Ni25  1  0.280630  0.058150  0.424102  1
  Ni  Ni26  1  0.502684  0.502329  0.449177  1
  Ni  Ni27  1  0.613697  0.224430  0.461666  1
  Ni  Ni28  1  0.391620  0.780281  0.436673  1
  Ni  Ni29  1  0.113738  0.224430  0.461666  1
  Ni  Ni30  1  0.891736  0.780280  0.436673  1
  Ni  Ni31  1  0.224794  0.946618  0.474176  1
  Ni  Ni32  1  0.002680  0.502321  0.449163  1
  Ni  Ni33  1  0.724775  0.946579  0.474189  1
  Ni  Ni34  1  0.946858  0.390816  0.499192  1
  Ni  Ni35  1  0.057923  0.112940  0.511700  1
  Ni  Ni36  1  0.835835  0.668694  0.486691  1
  Ni  Ni37  1  0.557882  0.112940  0.511700  1
  Ni  Ni38  1  0.335793  0.668694  0.486691  1
  Ni  Ni39  1  0.668942  0.835055  0.524202  1
  Ni  Ni40  1  0.446859  0.390819  0.499199  1
  Ni  Ni41  1  0.168923  0.835016  0.524215  1
  Ni  Ni42  1  0.391036  0.279313  0.549228  1
  Ni  Ni43  1  0.501980  1.001354  0.561718  1
  Ni  Ni44  1  0.279979  0.557204  0.536725  1
  Ni  Ni45  1  1.002097  1.001354  0.561718  1
  Ni  Ni46  1  0.780020  0.557204  0.536725  1
  Ni  Ni47  1  0.113087  0.723485  0.574289  1
  Ni  Ni48  1  0.891033  0.279306  0.549214  1
  Ni  Ni49  1  0.613191  0.723693  0.574226  1
  Ni  Ni50  1  0.835104  0.167591  0.599196  1
  Ni  Ni51  1  0.946634  0.890037  0.611784  1
  Ni  Ni52  1  0.724251  0.445711  0.586751  1
  Ni  Ni53  1  0.445987  0.890039  0.611783  1
  Ni  Ni54  1  0.224115  0.445710  0.586751  1
  Ni  Ni55  1  0.557558  0.612565  0.624176  1
  Ni  Ni56  1  0.335115  0.167614  0.599240  1
  Ni  Ni57  1  0.057218  0.611884  0.624419  1
  Ni  Ni58  1  0.279651  0.056834  0.649453  1
  Ni  Ni59  1  0.390814  0.779663  0.661824  1
  Ni  Ni60  1  0.167863  0.333490  0.636684  1
  Ni  Ni61  1  0.891288  0.779656  0.661825  1
  Ni  Ni62  1  0.668140  0.333492  0.636683  1
  Ni  Ni63  1  1.001300  0.500185  0.674374  1
  Ni  Ni64  1  0.779000  0.055522  0.649218  1
  Ni  Ni65  1  0.502064  0.501725  0.673586  1
  Ni  Ni66  1  0.723676  0.945026  0.699875  1
  Ni  Ni67  1  0.835322  0.664676  0.711464  1
  Ni  Ni68  1  0.616234  0.223734  0.686933  1
  Ni  Ni69  1  0.331716  0.664711  0.711462  1
  Ni  Ni70  1  0.109859  0.223740  0.686936  1
  Ni  Ni71  1  0.445080  0.387813  0.722633  1
  Ni  Ni72  1  0.224981  0.947650  0.699855  1
