# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96550960
_cell_length_b   7.83539914
_cell_length_c   47.02653672
_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   1735.75810428
_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  0.882129  0.385620  0.281173  1
  Ni  Ni2  1  0.099344  0.819989  0.304153  1
  Ni  Ni3  1  0.212569  0.546550  0.318275  1
  Ni  Ni4  1  0.990864  0.102953  0.292508  1
  Ni  Ni5  1  0.712569  0.546550  0.318275  1
  Ni  Ni6  1  0.490864  0.102953  0.292508  1
  Ni  Ni7  1  0.382129  0.385620  0.281173  1
  Ni  Ni8  1  0.599344  0.819989  0.304153  1
  Ni  Ni9  1  0.322702  0.266883  0.330497  1
  Ni  Ni10  1  0.545952  0.713526  0.355338  1
  Ni  Ni11  1  0.656449  0.434609  0.367815  1
  Ni  Ni12  1  0.433498  0.988561  0.342302  1
  Ni  Ni13  1  0.156449  0.434609  0.367815  1
  Ni  Ni14  1  0.933498  0.988561  0.342302  1
  Ni  Ni15  1  0.822702  0.266883  0.330497  1
  Ni  Ni16  1  0.045952  0.713526  0.355338  1
  Ni  Ni17  1  0.766866  0.155527  0.380092  1
  Ni  Ni18  1  0.989400  0.600731  0.405283  1
  Ni  Ni19  1  0.100167  0.322344  0.417678  1
  Ni  Ni20  1  0.878422  0.878693  0.392733  1
  Ni  Ni21  1  0.600167  0.322344  0.417678  1
  Ni  Ni22  1  0.378422  0.878693  0.392733  1
  Ni  Ni23  1  0.266866  0.155527  0.380092  1
  Ni  Ni24  1  0.489400  0.600731  0.405283  1
  Ni  Ni25  1  0.211322  0.044720  0.430227  1
  Ni  Ni26  1  0.433272  0.488771  0.455230  1
  Ni  Ni27  1  0.544322  0.210941  0.467737  1
  Ni  Ni28  1  0.322364  0.766878  0.442766  1
  Ni  Ni29  1  0.044322  0.210941  0.467737  1
  Ni  Ni30  1  0.822364  0.766878  0.442766  1
  Ni  Ni31  1  0.711322  0.044720  0.430227  1
  Ni  Ni32  1  0.933272  0.488771  0.455230  1
  Ni  Ni33  1  0.655345  0.933061  0.480260  1
  Ni  Ni34  1  0.877348  0.377215  0.505258  1
  Ni  Ni35  1  0.988331  0.099255  0.517758  1
  Ni  Ni36  1  0.766327  0.655101  0.492760  1
  Ni  Ni37  1  0.488331  0.099255  0.517758  1
  Ni  Ni38  1  0.266327  0.655101  0.492760  1
  Ni  Ni39  1  0.155345  0.933061  0.480260  1
  Ni  Ni40  1  0.377348  0.377215  0.505258  1
  Ni  Ni41  1  0.099354  0.821375  0.530281  1
  Ni  Ni42  1  0.321312  0.265438  0.555252  1
  Ni  Ni43  1  0.432353  0.987597  0.567791  1
  Ni  Ni44  1  0.210404  0.543545  0.542788  1
  Ni  Ni45  1  0.932353  0.987597  0.567791  1
  Ni  Ni46  1  0.710404  0.543545  0.542788  1
  Ni  Ni47  1  0.599354  0.821375  0.530281  1
  Ni  Ni48  1  0.821312  0.265438  0.555252  1
  Ni  Ni49  1  0.543508  0.709972  0.580340  1
  Ni  Ni50  1  0.765254  0.153624  0.605285  1
  Ni  Ni51  1  0.876809  0.876789  0.617926  1
  Ni  Ni52  1  0.654275  0.431585  0.592735  1
  Ni  Ni53  1  0.376809  0.876789  0.617926  1
  Ni  Ni54  1  0.154275  0.431585  0.592735  1
  Ni  Ni55  1  0.043508  0.709972  0.580340  1
  Ni  Ni56  1  0.265254  0.153624  0.605285  1
  Ni  Ni57  1  0.987226  0.597707  0.630203  1
  Ni  Ni58  1  0.210177  0.043755  0.655716  1
  Ni  Ni59  1  0.320973  0.765433  0.667521  1
  Ni  Ni60  1  0.097723  0.318790  0.642680  1
  Ni  Ni61  1  0.820973  0.765433  0.667521  1
  Ni  Ni62  1  0.597723  0.318790  0.642680  1
  Ni  Ni63  1  0.487226  0.597707  0.630203  1
  Ni  Ni64  1  0.710177  0.043755  0.655716  1
  Ni  Ni65  1  0.431106  0.485766  0.679743  1
  Ni  Ni66  1  0.652811  0.929363  0.705510  1
  Ni  Ni67  1  0.761547  0.646696  0.716845  1
  Ni  Ni68  1  0.544331  0.212328  0.693866  1
  Ni  Ni69  1  0.261547  0.646696  0.716845  1
  Ni  Ni70  1  0.044331  0.212328  0.693866  1
  Ni  Ni71  1  0.931106  0.485766  0.679743  1
  Ni  Ni72  1  0.152811  0.929363  0.705510  1
