# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18870627
_cell_length_b   4.71627406
_cell_length_c   46.33054666
_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   Ni40
_cell_volume   915.263968706
_cell_formula_units_Z   40
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  0.175966  0.530900  0.303800  1
  Ni  Ni2  1  0.679592  0.674921  0.285754  1
  Ni  Ni3  1  0.328915  0.030900  0.303800  1
  Ni  Ni4  1  0.825288  0.174921  0.285754  1
  Ni  Ni5  1  0.168922  0.266605  0.347703  1
  Ni  Ni6  1  0.669172  0.398884  0.326727  1
  Ni  Ni7  1  0.335958  0.766605  0.347703  1
  Ni  Ni8  1  0.835709  0.898884  0.326727  1
  Ni  Ni9  1  0.169455  0.009812  0.393974  1
  Ni  Ni10  1  0.669205  0.138376  0.371545  1
  Ni  Ni11  1  0.335426  0.509812  0.393974  1
  Ni  Ni12  1  0.835676  0.638376  0.371545  1
  Ni  Ni13  1  0.169018  0.757327  0.440156  1
  Ni  Ni14  1  0.668938  0.884269  0.417375  1
  Ni  Ni15  1  0.335863  0.257327  0.440156  1
  Ni  Ni16  1  0.835943  0.384269  0.417375  1
  Ni  Ni17  1  0.168846  0.503476  0.486079  1
  Ni  Ni18  1  0.668905  0.630377  0.463207  1
  Ni  Ni19  1  0.336034  1.003476  0.486079  1
  Ni  Ni20  1  0.835976  0.130377  0.463207  1
  Ni  Ni21  1  0.168905  0.249652  0.531965  1
  Ni  Ni22  1  0.668846  0.376553  0.509093  1
  Ni  Ni23  1  0.335976  0.749652  0.531965  1
  Ni  Ni24  1  0.836034  0.876553  0.509093  1
  Ni  Ni25  1  0.168938  0.995760  0.577797  1
  Ni  Ni26  1  0.669018  0.122702  0.555016  1
  Ni  Ni27  1  0.335943  0.495760  0.577797  1
  Ni  Ni28  1  0.835863  0.622702  0.555016  1
  Ni  Ni29  1  0.169205  0.741653  0.623627  1
  Ni  Ni30  1  0.669455  0.870217  0.601198  1
  Ni  Ni31  1  0.335676  0.241653  0.623627  1
  Ni  Ni32  1  0.835426  0.370217  0.601198  1
  Ni  Ni33  1  0.169172  0.481145  0.668445  1
  Ni  Ni34  1  0.668922  0.613424  0.647469  1
  Ni  Ni35  1  0.335709  0.981145  0.668445  1
  Ni  Ni36  1  0.835958  0.113424  0.647469  1
  Ni  Ni37  1  0.179592  0.205108  0.709418  1
  Ni  Ni38  1  0.675966  0.349129  0.691371  1
  Ni  Ni39  1  0.325288  0.705108  0.709418  1
  Ni  Ni40  1  0.828915  0.849129  0.691371  1
