# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49329535
_cell_length_b   12.66147676
_cell_length_c   47.04557737
_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   Ni84
_cell_volume   2080.8389618
_cell_formula_units_Z   84
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  0.003822  0.540592  0.321049  1
  Ni  Ni2  1  0.003822  0.310338  0.280188  1
  Ni  Ni3  1  0.003822  0.924607  0.299823  1
  Ni  Ni4  1  0.503822  0.425943  0.299916  1
  Ni  Ni5  1  0.503822  0.040522  0.320697  1
  Ni  Ni6  1  0.503822  0.657321  0.341840  1
  Ni  Ni7  1  0.503822  0.616619  0.290205  1
  Ni  Ni8  1  0.503822  0.232567  0.310775  1
  Ni  Ni9  1  0.503822  0.848772  0.330991  1
  Ni  Ni10  1  0.003822  0.349192  0.331669  1
  Ni  Ni11  1  0.003822  0.117784  0.289817  1
  Ni  Ni12  1  0.003822  0.733481  0.309965  1
  Ni  Ni13  1  0.003822  0.387317  0.383510  1
  Ni  Ni14  1  0.003822  0.156564  0.341920  1
  Ni  Ni15  1  0.003822  0.772043  0.362412  1
  Ni  Ni16  1  0.503822  0.272012  0.362627  1
  Ni  Ni17  1  0.503822  0.887002  0.383202  1
  Ni  Ni18  1  0.503822  0.502464  0.404272  1
  Ni  Ni19  1  0.503822  0.464554  0.352228  1
  Ni  Ni20  1  0.503822  0.079417  0.372868  1
  Ni  Ni21  1  0.503822  0.694840  0.393795  1
  Ni  Ni22  1  0.003822  0.194722  0.393865  1
  Ni  Ni23  1  0.003822  0.964353  0.352138  1
  Ni  Ni24  1  0.003822  0.579750  0.372932  1
  Ni  Ni25  1  0.003822  0.232574  0.445958  1
  Ni  Ni26  1  0.003822  0.002258  0.404176  1
  Ni  Ni27  1  0.003822  0.617518  0.425067  1
  Ni  Ni28  1  0.503822  0.117404  0.425060  1
  Ni  Ni29  1  0.503822  0.732629  0.445891  1
  Ni  Ni30  1  0.503822  0.347724  0.466810  1
  Ni  Ni31  1  0.503822  0.309930  0.414719  1
  Ni  Ni32  1  0.503822  0.924979  0.435423  1
  Ni  Ni33  1  0.503822  0.540201  0.456358  1
  Ni  Ni34  1  0.003822  0.040125  0.456324  1
  Ni  Ni35  1  0.003822  0.809930  0.414569  1
  Ni  Ni36  1  0.003822  0.425078  0.435556  1
  Ni  Ni37  1  0.003822  0.077984  0.508484  1
  Ni  Ni38  1  0.003822  0.847738  0.466724  1
  Ni  Ni39  1  0.003822  0.462856  0.487634  1
  Ni  Ni40  1  0.503822  0.962852  0.487595  1
  Ni  Ni41  1  0.503822  0.577980  0.508444  1
  Ni  Ni42  1  0.503822  0.193098  0.529354  1
  Ni  Ni43  1  0.503822  0.155260  0.477209  1
  Ni  Ni44  1  0.503822  0.770441  0.498007  1
  Ni  Ni45  1  0.503822  0.385523  0.518906  1
  Ni  Ni46  1  0.003822  0.885576  0.518870  1
  Ni  Ni47  1  0.003822  0.655313  0.477172  1
  Ni  Ni48  1  0.003822  0.270395  0.498071  1
  Ni  Ni49  1  0.003822  0.923432  0.571018  1
  Ni  Ni50  1  0.003822  0.693112  0.529269  1
  Ni  Ni51  1  0.003822  0.308207  0.550187  1
  Ni  Ni52  1  0.503822  0.808262  0.550121  1
  Ni  Ni53  1  0.503822  0.423318  0.571011  1
  Ni  Ni54  1  0.503822  0.038578  0.591902  1
  Ni  Ni55  1  0.503822  1.000711  0.539754  1
  Ni  Ni56  1  0.503822  0.615758  0.560522  1
  Ni  Ni57  1  0.503822  0.230906  0.581509  1
  Ni  Ni58  1  0.003822  0.730906  0.581359  1
  Ni  Ni59  1  0.003822  0.500635  0.539720  1
  Ni  Ni60  1  0.003822  0.115857  0.560655  1
  Ni  Ni61  1  0.003822  0.768824  0.633451  1
  Ni  Ni62  1  0.003822  0.538372  0.591806  1
  Ni  Ni63  1  0.003822  0.153834  0.612876  1
  Ni  Ni64  1  0.503822  0.653519  0.612569  1
  Ni  Ni65  1  0.503822  0.268793  0.633666  1
  Ni  Ni66  1  0.503822  0.884272  0.654158  1
  Ni  Ni67  1  0.503822  0.846114  0.602213  1
  Ni  Ni68  1  0.503822  0.461086  0.623146  1
  Ni  Ni69  1  0.503822  0.076483  0.643940  1
  Ni  Ni70  1  0.003822  0.576282  0.643850  1
  Ni  Ni71  1  0.003822  0.345996  0.602283  1
  Ni  Ni72  1  0.003822  0.961419  0.623210  1
  Ni  Ni73  1  0.003822  0.614893  0.696162  1
  Ni  Ni74  1  0.003822  0.383515  0.654238  1
  Ni  Ni75  1  0.003822  1.000314  0.675381  1
  Ni  Ni76  1  0.503822  0.500244  0.675029  1
  Ni  Ni77  1  0.503822  0.116229  0.696255  1
  Ni  Ni78  1  0.503822  0.730498  0.715890  1
  Ni  Ni79  1  0.503822  0.691644  0.664409  1
  Ni  Ni80  1  0.503822  0.307355  0.686113  1
  Ni  Ni81  1  0.503822  0.923052  0.706261  1
  Ni  Ni82  1  0.003822  0.424217  0.705874  1
  Ni  Ni83  1  0.003822  0.192064  0.665087  1
  Ni  Ni84  1  0.003822  0.808269  0.685304  1
