# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09838861
_cell_length_b   8.90412086
_cell_length_c   46.65121062
_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   Ni72
_cell_volume   1702.42152201
_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  0.252255  0.045154  0.301276  1
  Ni  Ni2  1  0.252255  0.775409  0.288247  1
  Ni  Ni3  1  0.252255  0.498003  0.277212  1
  Ni  Ni4  1  0.752255  0.077964  0.274251  1
  Ni  Ni5  1  0.752255  0.618973  0.296851  1
  Ni  Ni6  1  0.752255  0.344784  0.284788  1
  Ni  Ni7  1  0.252255  0.849969  0.340093  1
  Ni  Ni8  1  0.252255  0.581316  0.327378  1
  Ni  Ni9  1  0.252255  0.309315  0.314483  1
  Ni  Ni10  1  0.752255  0.885501  0.310692  1
  Ni  Ni11  1  0.752255  0.426630  0.335823  1
  Ni  Ni12  1  0.752255  0.156387  0.324243  1
  Ni  Ni13  1  0.252255  0.657121  0.378639  1
  Ni  Ni14  1  0.252255  0.387689  0.365662  1
  Ni  Ni15  1  0.252255  0.117775  0.353248  1
  Ni  Ni16  1  0.752255  0.694171  0.348845  1
  Ni  Ni17  1  0.752255  0.233759  0.374782  1
  Ni  Ni18  1  0.752255  0.963097  0.361919  1
  Ni  Ni19  1  0.252255  0.464607  0.417113  1
  Ni  Ni20  1  0.252255  0.195486  0.404423  1
  Ni  Ni21  1  0.252255  0.925887  0.391625  1
  Ni  Ni22  1  0.752255  0.502343  0.387347  1
  Ni  Ni23  1  0.752255  0.040779  0.413132  1
  Ni  Ni24  1  0.752255  0.771212  0.400275  1
  Ni  Ni25  1  0.252255  0.272369  0.455721  1
  Ni  Ni26  1  0.252255  0.003058  0.442908  1
  Ni  Ni27  1  0.252255  0.733688  0.430047  1
  Ni  Ni28  1  0.752255  0.310174  0.425986  1
  Ni  Ni29  1  0.752255  0.848403  0.451583  1
  Ni  Ni30  1  0.752255  0.579122  0.438742  1
  Ni  Ni31  1  0.252255  0.080027  0.494218  1
  Ni  Ni32  1  0.252255  0.810728  0.481368  1
  Ni  Ni33  1  0.252255  0.541460  0.468511  1
  Ni  Ni34  1  0.752255  0.117721  0.464438  1
  Ni  Ni35  1  0.752255  0.656133  0.490073  1
  Ni  Ni36  1  0.752255  0.386971  0.477285  1
  Ni  Ni37  1  0.252255  0.887680  0.532686  1
  Ni  Ni38  1  0.252255  0.618429  0.519838  1
  Ni  Ni39  1  0.252255  0.349267  0.507051  1
  Ni  Ni40  1  0.752255  0.925374  0.502906  1
  Ni  Ni41  1  0.752255  0.463940  0.528613  1
  Ni  Ni42  1  0.752255  0.194672  0.515756  1
  Ni  Ni43  1  0.252255  0.695226  0.571138  1
  Ni  Ni44  1  0.252255  0.426278  0.558382  1
  Ni  Ni45  1  0.252255  0.156997  0.545540  1
  Ni  Ni46  1  0.752255  0.733031  0.541403  1
  Ni  Ni47  1  0.752255  0.271713  0.567077  1
  Ni  Ni48  1  0.752255  1.002343  0.554216  1
  Ni  Ni49  1  0.252255  0.503057  0.609776  1
  Ni  Ni50  1  0.252255  0.234188  0.596849  1
  Ni  Ni51  1  0.252255  0.964621  0.583992  1
  Ni  Ni52  1  0.752255  0.540793  0.580011  1
  Ni  Ni53  1  0.752255  0.079513  0.605499  1
  Ni  Ni54  1  0.752255  0.809914  0.592701  1
  Ni  Ni55  1  0.252255  0.311230  0.648278  1
  Ni  Ni56  1  0.252255  0.042304  0.635205  1
  Ni  Ni57  1  0.252255  0.771642  0.622341  1
  Ni  Ni58  1  0.752255  0.348279  0.618484  1
  Ni  Ni59  1  0.752255  0.887625  0.643876  1
  Ni  Ni60  1  0.752255  0.617712  0.631462  1
  Ni  Ni61  1  0.252255  0.119900  0.686432  1
  Ni  Ni62  1  0.252255  0.849013  0.672880  1
  Ni  Ni63  1  0.252255  0.578770  0.661301  1
  Ni  Ni64  1  0.752255  0.155431  0.657031  1
  Ni  Ni65  1  0.752255  0.696085  0.682641  1
  Ni  Ni66  1  0.752255  0.424084  0.669746  1
  Ni  Ni67  1  0.252255  0.927437  0.722873  1
  Ni  Ni68  1  0.252255  0.660617  0.712336  1
  Ni  Ni69  1  0.252255  0.386427  0.700273  1
  Ni  Ni70  1  0.752255  0.960246  0.695848  1
  Ni  Ni71  1  0.752255  0.507397  0.719912  1
  Ni  Ni72  1  0.752255  0.229991  0.708877  1
