# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96309852
_cell_length_b   7.84207024
_cell_length_c   47.00312483
_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   1735.52794263
_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  0.948469  0.393539  0.275805  1
  Ni  Ni2  1  0.168594  0.833766  0.298584  1
  Ni  Ni3  1  0.283718  0.557682  0.311502  1
  Ni  Ni4  1  0.061843  0.116673  0.286974  1
  Ni  Ni5  1  0.777358  0.557686  0.311504  1
  Ni  Ni6  1  0.558242  0.116697  0.286973  1
  Ni  Ni7  1  0.891527  0.279695  0.324854  1
  Ni  Ni8  1  0.669895  0.836378  0.298564  1
  Ni  Ni9  1  0.392298  0.281247  0.324062  1
  Ni  Ni10  1  0.614613  0.725920  0.349223  1
  Ni  Ni11  1  0.725482  0.447959  0.361758  1
  Ni  Ni12  1  0.502317  1.001780  0.336616  1
  Ni  Ni13  1  0.225760  0.447960  0.361758  1
  Ni  Ni14  1  0.002791  1.001775  0.336617  1
  Ni  Ni15  1  0.336417  0.169580  0.374024  1
  Ni  Ni16  1  0.113961  0.724609  0.348988  1
  Ni  Ni17  1  0.836075  0.168896  0.374268  1
  Ni  Ni18  1  0.058536  0.613863  0.399205  1
  Ni  Ni19  1  0.169548  0.335777  0.411695  1
  Ni  Ni20  1  0.947655  0.891431  0.386661  1
  Ni  Ni21  1  0.669410  0.335777  0.411695  1
  Ni  Ni22  1  0.447008  0.891433  0.386661  1
  Ni  Ni23  1  0.780480  0.057803  0.424222  1
  Ni  Ni24  1  0.558547  0.613887  0.399249  1
  Ni  Ni25  1  0.280584  0.058012  0.424158  1
  Ni  Ni26  1  0.502657  0.502208  0.449235  1
  Ni  Ni27  1  0.613679  0.224318  0.461725  1
  Ni  Ni28  1  0.391582  0.780150  0.436730  1
  Ni  Ni29  1  0.113721  0.224318  0.461725  1
  Ni  Ni30  1  0.891700  0.780150  0.436730  1
  Ni  Ni31  1  0.224786  0.946514  0.474236  1
  Ni  Ni32  1  0.002653  0.502200  0.449221  1
  Ni  Ni33  1  0.724766  0.946475  0.474250  1
  Ni  Ni34  1  0.946869  0.390729  0.499254  1
  Ni  Ni35  1  0.057944  0.112863  0.511763  1
  Ni  Ni36  1  0.835837  0.668599  0.486752  1
  Ni  Ni37  1  0.557902  0.112863  0.511763  1
  Ni  Ni38  1  0.335795  0.668599  0.486752  1
  Ni  Ni39  1  0.668972  0.834986  0.524266  1
  Ni  Ni40  1  0.446870  0.390732  0.499261  1
  Ni  Ni41  1  0.168953  0.834947  0.524279  1
  Ni  Ni42  1  0.391085  0.279262  0.549294  1
  Ni  Ni43  1  0.502039  1.001312  0.561785  1
  Ni  Ni44  1  0.280018  0.557144  0.536790  1
  Ni  Ni45  1  1.002156  1.001311  0.561785  1
  Ni  Ni46  1  0.780059  0.557144  0.536790  1
  Ni  Ni47  1  0.113154  0.723450  0.574357  1
  Ni  Ni48  1  0.891081  0.279254  0.549280  1
  Ni  Ni49  1  0.613259  0.723659  0.574293  1
  Ni  Ni50  1  0.835192  0.167575  0.599267  1
  Ni  Ni51  1  0.946730  0.890029  0.611854  1
  Ni  Ni52  1  0.724328  0.445685  0.586820  1
  Ni  Ni53  1  0.446083  0.890030  0.611854  1
  Ni  Ni54  1  0.224191  0.445685  0.586820  1
  Ni  Ni55  1  0.557663  0.612566  0.624247  1
  Ni  Ni56  1  0.335203  0.167598  0.599310  1
  Ni  Ni57  1  0.057322  0.611881  0.624491  1
  Ni  Ni58  1  0.279777  0.056852  0.649527  1
  Ni  Ni59  1  0.390947  0.779687  0.661898  1
  Ni  Ni60  1  0.167979  0.333501  0.636758  1
  Ni  Ni61  1  0.891421  0.779682  0.661899  1
  Ni  Ni62  1  0.668257  0.333502  0.636757  1
  Ni  Ni63  1  1.001440  0.500215  0.674453  1
  Ni  Ni64  1  0.779125  0.055541  0.649292  1
  Ni  Ni65  1  0.502212  0.501766  0.673661  1
  Ni  Ni66  1  0.723843  0.945084  0.699951  1
  Ni  Ni67  1  0.835496  0.664765  0.711542  1
  Ni  Ni68  1  0.616380  0.223776  0.687011  1
  Ni  Ni69  1  0.331895  0.664789  0.711541  1
  Ni  Ni70  1  0.110021  0.223780  0.687013  1
  Ni  Ni71  1  0.445270  0.387923  0.722710  1
  Ni  Ni72  1  0.225144  0.947696  0.699931  1
