# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95250344
_cell_length_b   7.81357586
_cell_length_c   47.00940549
_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   1725.76093078
_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  0.993955  0.606614  0.292911  1
  Ni  Ni2  1  0.215362  0.049628  0.318378  1
  Ni  Ni3  1  0.101418  0.321652  0.303943  1
  Ni  Ni4  1  0.884335  0.887500  0.282610  1
  Ni  Ni5  1  0.601418  0.321652  0.303943  1
  Ni  Ni6  1  0.384335  0.887500  0.282610  1
  Ni  Ni7  1  0.493955  0.606614  0.292911  1
  Ni  Ni8  1  0.715362  0.049628  0.318378  1
  Ni  Ni9  1  0.435562  0.490169  0.341960  1
  Ni  Ni10  1  0.658896  0.936963  0.367757  1
  Ni  Ni11  1  0.548644  0.216371  0.355258  1
  Ni  Ni12  1  0.324912  0.768793  0.330599  1
  Ni  Ni13  1  0.048644  0.216371  0.355258  1
  Ni  Ni14  1  0.824912  0.768793  0.330599  1
  Ni  Ni15  1  0.935562  0.490169  0.341960  1
  Ni  Ni16  1  0.158896  0.936963  0.367757  1
  Ni  Ni17  1  0.880741  0.380770  0.392699  1
  Ni  Ni18  1  0.102301  0.824041  0.417661  1
  Ni  Ni19  1  0.991672  0.102708  0.405278  1
  Ni  Ni20  1  0.768926  0.657105  0.379985  1
  Ni  Ni21  1  0.491672  0.102708  0.405278  1
  Ni  Ni22  1  0.268926  0.657105  0.379985  1
  Ni  Ni23  1  0.380741  0.380770  0.392699  1
  Ni  Ni24  1  0.602301  0.824041  0.417661  1
  Ni  Ni25  1  0.324515  0.268590  0.442832  1
  Ni  Ni26  1  0.546428  0.712544  0.467860  1
  Ni  Ni27  1  0.435356  0.990342  0.455305  1
  Ni  Ni28  1  0.213505  0.546501  0.430282  1
  Ni  Ni29  1  0.935356  0.990342  0.455305  1
  Ni  Ni30  1  0.713505  0.546501  0.430282  1
  Ni  Ni31  1  0.824515  0.268590  0.442832  1
  Ni  Ni32  1  0.046428  0.712544  0.467860  1
  Ni  Ni33  1  0.768337  0.156496  0.492920  1
  Ni  Ni34  1  0.990306  0.600564  0.517976  1
  Ni  Ni35  1  0.879371  0.878626  0.505462  1
  Ni  Ni36  1  0.657401  0.434558  0.480406  1
  Ni  Ni37  1  0.379371  0.878626  0.505462  1
  Ni  Ni38  1  0.157401  0.434558  0.480406  1
  Ni  Ni39  1  0.268337  0.156496  0.492920  1
  Ni  Ni40  1  0.490306  0.600564  0.517976  1
  Ni  Ni41  1  0.212351  0.044780  0.543077  1
  Ni  Ni42  1  0.434203  0.488621  0.568100  1
  Ni  Ni43  1  0.323192  0.766532  0.555550  1
  Ni  Ni44  1  0.101280  0.322578  0.530522  1
  Ni  Ni45  1  0.823192  0.766532  0.555550  1
  Ni  Ni46  1  0.601280  0.322578  0.530522  1
  Ni  Ni47  1  0.712351  0.044780  0.543077  1
  Ni  Ni48  1  0.934203  0.488621  0.568100  1
  Ni  Ni49  1  0.656036  0.932414  0.593104  1
  Ni  Ni50  1  0.878781  0.378017  0.618397  1
  Ni  Ni51  1  0.766967  0.654352  0.605683  1
  Ni  Ni52  1  0.545406  0.211081  0.580721  1
  Ni  Ni53  1  0.266967  0.654352  0.605683  1
  Ni  Ni54  1  0.045406  0.211081  0.580721  1
  Ni  Ni55  1  0.156036  0.932414  0.593104  1
  Ni  Ni56  1  0.378781  0.378017  0.618397  1
  Ni  Ni57  1  0.099064  0.818750  0.643124  1
  Ni  Ni58  1  0.322796  0.266329  0.667783  1
  Ni  Ni59  1  0.212146  0.544953  0.656422  1
  Ni  Ni60  1  0.988812  0.098158  0.630624  1
  Ni  Ni61  1  0.712146  0.544953  0.656422  1
  Ni  Ni62  1  0.488812  0.098158  0.630624  1
  Ni  Ni63  1  0.599064  0.818750  0.643124  1
  Ni  Ni64  1  0.822796  0.266329  0.667783  1
  Ni  Ni65  1  0.546289  0.713470  0.694439  1
  Ni  Ni66  1  0.763373  0.147622  0.715772  1
  Ni  Ni67  1  0.653752  0.428508  0.705471  1
  Ni  Ni68  1  0.432346  0.985494  0.680004  1
  Ni  Ni69  1  0.153752  0.428508  0.705471  1
  Ni  Ni70  1  0.932346  0.985494  0.680004  1
  Ni  Ni71  1  0.046289  0.713470  0.694439  1
  Ni  Ni72  1  0.263373  0.147622  0.715772  1
