# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49236449
_cell_length_b   4.97120157
_cell_length_c   49.96785634
_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   Ni36
_cell_volume   867.504338135
_cell_formula_units_Z   36
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  1.003957  0.125687  0.285718  1
  Ni  Ni2  1  0.503957  0.375687  0.310517  1
  Ni  Ni3  1  0.503957  0.875687  0.310517  1
  Ni  Ni4  1  0.003957  0.625687  0.285718  1
  Ni  Ni5  1  0.003957  0.625687  0.335726  1
  Ni  Ni6  1  0.503957  0.875687  0.360539  1
  Ni  Ni7  1  0.503957  0.375687  0.360539  1
  Ni  Ni8  1  0.003957  0.125687  0.335726  1
  Ni  Ni9  1  1.003957  0.125687  0.385609  1
  Ni  Ni10  1  0.503957  0.375687  0.410594  1
  Ni  Ni11  1  0.503957  0.875687  0.410594  1
  Ni  Ni12  1  1.003957  0.625687  0.385609  1
  Ni  Ni13  1  1.003957  0.625687  0.435608  1
  Ni  Ni14  1  0.503957  0.875687  0.460612  1
  Ni  Ni15  1  0.503957  0.375687  0.460612  1
  Ni  Ni16  1  1.003957  0.125687  0.435608  1
  Ni  Ni17  1  1.003957  0.125687  0.485620  1
  Ni  Ni18  1  0.503957  0.375687  0.510627  1
  Ni  Ni19  1  0.503957  0.875687  0.510627  1
  Ni  Ni20  1  1.003957  0.625687  0.485620  1
  Ni  Ni21  1  0.003957  0.625687  0.535634  1
  Ni  Ni22  1  0.503957  0.875687  0.560639  1
  Ni  Ni23  1  0.503957  0.375687  0.560639  1
  Ni  Ni24  1  0.003957  0.125687  0.535634  1
  Ni  Ni25  1  1.003957  0.125687  0.585653  1
  Ni  Ni26  1  0.503957  0.375687  0.610637  1
  Ni  Ni27  1  0.503957  0.875687  0.610637  1
  Ni  Ni28  1  1.003957  0.625687  0.585653  1
  Ni  Ni29  1  1.003957  0.625687  0.635708  1
  Ni  Ni30  1  0.503957  0.875687  0.660521  1
  Ni  Ni31  1  0.503957  0.375687  0.660521  1
  Ni  Ni32  1  1.003957  0.125687  0.635708  1
  Ni  Ni33  1  1.003957  0.125687  0.685729  1
  Ni  Ni34  1  0.503957  0.375687  0.710529  1
  Ni  Ni35  1  0.503957  0.875687  0.710529  1
  Ni  Ni36  1  1.003957  0.625687  0.685729  1
