# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06254210
_cell_length_b   10.54061194
_cell_length_c   46.49785436
_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   1991.1162318
_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  0.259530  0.418950  0.305766  1
  Ni  Ni2  1  0.259530  0.209940  0.287258  1
  Ni  Ni3  1  0.259530  0.816435  0.296415  1
  Ni  Ni4  1  0.759530  0.291356  0.307492  1
  Ni  Ni5  1  0.759530  0.087164  0.289652  1
  Ni  Ni6  1  0.759530  0.690839  0.299555  1
  Ni  Ni7  1  0.259530  0.239408  0.334883  1
  Ni  Ni8  1  0.259530  0.027095  0.313899  1
  Ni  Ni9  1  0.259530  0.633536  0.323735  1
  Ni  Ni10  1  0.759530  0.107660  0.337815  1
  Ni  Ni11  1  0.759530  0.897000  0.316947  1
  Ni  Ni12  1  0.759530  0.501541  0.326871  1
  Ni  Ni13  1  0.259530  0.055212  0.365239  1
  Ni  Ni14  1  0.259530  0.844143  0.344640  1
  Ni  Ni15  1  0.259530  0.451655  0.354770  1
  Ni  Ni16  1  0.759530  0.922064  0.368644  1
  Ni  Ni17  1  0.759530  0.711800  0.347980  1
  Ni  Ni18  1  0.759530  0.318628  0.358012  1
  Ni  Ni19  1  0.259530  0.871175  0.396991  1
  Ni  Ni20  1  0.259530  0.660921  0.375513  1
  Ni  Ni21  1  0.259530  0.266685  0.386524  1
  Ni  Ni22  1  0.759530  0.738604  0.400503  1
  Ni  Ni23  1  0.759530  0.527966  0.379081  1
  Ni  Ni24  1  0.759530  0.133583  0.390152  1
  Ni  Ni25  1  0.259530  0.686666  0.428367  1
  Ni  Ni26  1  0.259530  0.476832  0.407331  1
  Ni  Ni27  1  0.259530  0.081530  0.417968  1
  Ni  Ni28  1  0.759530  0.554899  0.431911  1
  Ni  Ni29  1  0.759530  0.344591  0.411024  1
  Ni  Ni30  1  0.759530  0.949475  0.421495  1
  Ni  Ni31  1  0.259530  0.502464  0.459892  1
  Ni  Ni32  1  0.259530  0.292035  0.438964  1
  Ni  Ni33  1  0.259530  0.897068  0.449442  1
  Ni  Ni34  1  0.759530  0.370966  0.463453  1
  Ni  Ni35  1  0.759530  0.160358  0.442534  1
  Ni  Ni36  1  0.759530  0.765473  0.452950  1
  Ni  Ni37  1  0.259530  0.318290  0.491426  1
  Ni  Ni38  1  0.259530  0.107649  0.470428  1
  Ni  Ni39  1  0.259530  0.712880  0.480897  1
  Ni  Ni40  1  0.759530  0.186779  0.494940  1
  Ni  Ni41  1  0.759530  0.976121  0.473934  1
  Ni  Ni42  1  0.759530  0.581385  0.484416  1
  Ni  Ni43  1  0.259530  0.134093  0.522907  1
  Ni  Ni44  1  0.259530  0.923434  0.501902  1
  Ni  Ni45  1  0.259530  0.528828  0.512425  1
  Ni  Ni46  1  0.759530  0.002565  0.526413  1
  Ni  Ni47  1  0.759530  0.791924  0.505415  1
  Ni  Ni48  1  0.759530  0.397334  0.515944  1
  Ni  Ni49  1  0.259530  0.949855  0.554307  1
  Ni  Ni50  1  0.259530  0.739247  0.533388  1
  Ni  Ni51  1  0.259530  0.344741  0.543891  1
  Ni  Ni52  1  0.759530  0.818179  0.557877  1
  Ni  Ni53  1  0.759530  0.607749  0.536949  1
  Ni  Ni54  1  0.759530  0.213146  0.547399  1
  Ni  Ni55  1  0.259530  0.765623  0.585817  1
  Ni  Ni56  1  0.259530  0.555314  0.564930  1
  Ni  Ni57  1  0.259530  0.160739  0.575346  1
  Ni  Ni58  1  0.759530  0.633382  0.589510  1
  Ni  Ni59  1  0.759530  0.423548  0.568475  1
  Ni  Ni60  1  0.759530  0.028684  0.578873  1
  Ni  Ni61  1  0.259530  0.582248  0.617760  1
  Ni  Ni62  1  0.259530  0.371609  0.596338  1
  Ni  Ni63  1  0.259530  0.976631  0.606689  1
  Ni  Ni64  1  0.759530  0.449293  0.621328  1
  Ni  Ni65  1  0.759530  0.239039  0.599850  1
  Ni  Ni66  1  0.759530  0.843529  0.610317  1
  Ni  Ni67  1  0.259530  0.398414  0.648861  1
  Ni  Ni68  1  0.259530  0.188150  0.628197  1
  Ni  Ni69  1  0.259530  0.791585  0.638830  1
  Ni  Ni70  1  0.759530  0.266070  0.652201  1
  Ni  Ni71  1  0.759530  0.055002  0.631602  1
  Ni  Ni72  1  0.759530  0.658559  0.642071  1
  Ni  Ni73  1  0.259530  0.213214  0.679894  1
  Ni  Ni74  1  0.259530  0.002554  0.659026  1
  Ni  Ni75  1  0.259530  0.608672  0.669970  1
  Ni  Ni76  1  0.759530  0.083119  0.682942  1
  Ni  Ni77  1  0.759530  0.870806  0.661958  1
  Ni  Ni78  1  0.759530  0.476678  0.673106  1
  Ni  Ni79  1  0.259530  0.023050  0.707189  1
  Ni  Ni80  1  0.259530  0.818858  0.689349  1
  Ni  Ni81  1  0.259530  0.419375  0.697286  1
  Ni  Ni82  1  0.759530  0.900273  0.709583  1
  Ni  Ni83  1  0.759530  0.691264  0.691075  1
  Ni  Ni84  1  0.759530  0.293779  0.700426  1
