# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28557166
_cell_length_b   4.77735609
_cell_length_c   46.95369079
_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   961.31586749
_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  0.170362  0.453636  0.304240  1
  Ni  Ni2  1  0.668315  0.583275  0.282850  1
  Ni  Ni3  1  0.333122  0.953636  0.304240  1
  Ni  Ni4  1  0.835168  0.083275  0.282850  1
  Ni  Ni5  1  0.169155  0.185414  0.350100  1
  Ni  Ni6  1  0.669511  0.317226  0.327912  1
  Ni  Ni7  1  0.334329  0.685414  0.350100  1
  Ni  Ni8  1  0.833972  0.817226  0.327912  1
  Ni  Ni9  1  0.168980  0.918702  0.395698  1
  Ni  Ni10  1  0.668808  0.051496  0.373120  1
  Ni  Ni11  1  0.334504  0.418702  0.395698  1
  Ni  Ni12  1  0.834676  0.551496  0.373120  1
  Ni  Ni13  1  0.168963  0.652252  0.441222  1
  Ni  Ni14  1  0.668903  0.785299  0.418535  1
  Ni  Ni15  1  0.334521  0.152252  0.441222  1
  Ni  Ni16  1  0.834581  0.285299  0.418535  1
  Ni  Ni17  1  0.168951  0.385874  0.486719  1
  Ni  Ni18  1  0.668938  0.518997  0.463999  1
  Ni  Ni19  1  0.334532  0.885874  0.486719  1
  Ni  Ni20  1  0.834545  0.018997  0.463999  1
  Ni  Ni21  1  0.168938  0.119530  0.532202  1
  Ni  Ni22  1  0.668951  0.252653  0.509482  1
  Ni  Ni23  1  0.334545  0.619530  0.532202  1
  Ni  Ni24  1  0.834532  0.752653  0.509482  1
  Ni  Ni25  1  0.168903  0.853228  0.577666  1
  Ni  Ni26  1  0.668963  0.986275  0.554978  1
  Ni  Ni27  1  0.334581  0.353228  0.577666  1
  Ni  Ni28  1  0.834521  0.486275  0.554978  1
  Ni  Ni29  1  0.168808  0.587031  0.623080  1
  Ni  Ni30  1  0.668980  0.719825  0.600503  1
  Ni  Ni31  1  0.334676  0.087031  0.623080  1
  Ni  Ni32  1  0.834504  0.219825  0.600503  1
  Ni  Ni33  1  0.169511  0.321302  0.668289  1
  Ni  Ni34  1  0.669155  0.453114  0.646101  1
  Ni  Ni35  1  0.333972  0.821302  0.668289  1
  Ni  Ni36  1  0.834329  0.953114  0.646101  1
  Ni  Ni37  1  0.168315  0.055253  0.713350  1
  Ni  Ni38  1  0.670362  0.184892  0.691961  1
  Ni  Ni39  1  0.335168  0.555253  0.713350  1
  Ni  Ni40  1  0.833122  0.684892  0.691961  1
