# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48875187
_cell_length_b   12.74142042
_cell_length_c   47.07585578
_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   2092.59967104
_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  0.505083  0.524047  0.326066  1
  Ni  Ni2  1  0.505083  0.297025  0.285437  1
  Ni  Ni3  1  0.505083  0.911935  0.305549  1
  Ni  Ni4  1  0.005083  0.411935  0.305549  1
  Ni  Ni5  1  0.005083  0.024047  0.326066  1
  Ni  Ni6  1  0.005083  0.797025  0.285437  1
  Ni  Ni7  1  0.005083  0.604444  0.295145  1
  Ni  Ni8  1  0.005083  0.218554  0.316215  1
  Ni  Ni9  1  0.005083  0.831816  0.337143  1
  Ni  Ni10  1  0.505083  0.331816  0.337143  1
  Ni  Ni11  1  0.505083  0.104444  0.295145  1
  Ni  Ni12  1  0.505083  0.718554  0.316215  1
  Ni  Ni13  1  0.505083  0.370836  0.388949  1
  Ni  Ni14  1  0.505083  0.139673  0.346921  1
  Ni  Ni15  1  0.505083  0.755195  0.368148  1
  Ni  Ni16  1  0.005083  0.255195  0.368148  1
  Ni  Ni17  1  0.005083  0.870836  0.388949  1
  Ni  Ni18  1  0.005083  0.639673  0.346921  1
  Ni  Ni19  1  0.005083  0.447775  0.357506  1
  Ni  Ni20  1  0.005083  0.062959  0.378284  1
  Ni  Ni21  1  0.005083  0.678230  0.399223  1
  Ni  Ni22  1  0.505083  0.178230  0.399223  1
  Ni  Ni23  1  0.505083  0.947775  0.357506  1
  Ni  Ni24  1  0.505083  0.562959  0.378284  1
  Ni  Ni25  1  0.505083  0.216655  0.451386  1
  Ni  Ni26  1  0.505083  0.986067  0.409676  1
  Ni  Ni27  1  0.505083  0.601326  0.430502  1
  Ni  Ni28  1  0.005083  0.101326  0.430502  1
  Ni  Ni29  1  0.005083  0.716655  0.451386  1
  Ni  Ni30  1  0.005083  0.486067  0.409676  1
  Ni  Ni31  1  0.005083  0.293681  0.420170  1
  Ni  Ni32  1  0.005083  0.909071  0.441006  1
  Ni  Ni33  1  0.005083  0.524381  0.461822  1
  Ni  Ni34  1  0.505083  0.024381  0.461822  1
  Ni  Ni35  1  0.505083  0.793681  0.420170  1
  Ni  Ni36  1  0.505083  0.409071  0.441006  1
  Ni  Ni37  1  0.505083  0.062722  0.513966  1
  Ni  Ni38  1  0.505083  0.832031  0.472262  1
  Ni  Ni39  1  0.505083  0.447394  0.493115  1
  Ni  Ni40  1  0.005083  0.947394  0.493115  1
  Ni  Ni41  1  0.005083  0.562722  0.513966  1
  Ni  Ni42  1  0.005083  0.332031  0.472262  1
  Ni  Ni43  1  0.005083  0.139685  0.482665  1
  Ni  Ni44  1  0.005083  0.755014  0.503516  1
  Ni  Ni45  1  0.005083  0.370377  0.524369  1
  Ni  Ni46  1  0.505083  0.870377  0.524369  1
  Ni  Ni47  1  0.505083  0.639685  0.482665  1
  Ni  Ni48  1  0.505083  0.255014  0.503516  1
  Ni  Ni49  1  0.505083  0.908727  0.576461  1
  Ni  Ni50  1  0.505083  0.678027  0.534810  1
  Ni  Ni51  1  0.505083  0.293337  0.555625  1
  Ni  Ni52  1  0.005083  0.793337  0.555625  1
  Ni  Ni53  1  0.005083  0.408727  0.576461  1
  Ni  Ni54  1  0.005083  0.178027  0.534810  1
  Ni  Ni55  1  0.005083  0.985753  0.545245  1
  Ni  Ni56  1  0.005083  0.601081  0.566129  1
  Ni  Ni57  1  0.005083  0.216340  0.586955  1
  Ni  Ni58  1  0.505083  0.716340  0.586955  1
  Ni  Ni59  1  0.505083  0.485753  0.545245  1
  Ni  Ni60  1  0.505083  0.101081  0.566129  1
  Ni  Ni61  1  0.505083  0.754633  0.639125  1
  Ni  Ni62  1  0.505083  0.524178  0.597408  1
  Ni  Ni63  1  0.505083  0.139449  0.618347  1
  Ni  Ni64  1  0.005083  0.639449  0.618347  1
  Ni  Ni65  1  0.005083  0.254633  0.639125  1
  Ni  Ni66  1  0.005083  0.024178  0.597408  1
  Ni  Ni67  1  0.005083  0.831572  0.607682  1
  Ni  Ni68  1  0.005083  0.447213  0.628483  1
  Ni  Ni69  1  0.005083  0.062734  0.649710  1
  Ni  Ni70  1  0.505083  0.562734  0.649710  1
  Ni  Ni71  1  0.505083  0.331572  0.607682  1
  Ni  Ni72  1  0.505083  0.947213  0.628483  1
  Ni  Ni73  1  0.505083  0.597964  0.701486  1
  Ni  Ni74  1  0.505083  0.370592  0.659488  1
  Ni  Ni75  1  0.505083  0.983853  0.680416  1
  Ni  Ni76  1  0.005083  0.483853  0.680416  1
  Ni  Ni77  1  0.005083  0.097964  0.701486  1
  Ni  Ni78  1  0.005083  0.870592  0.659488  1
  Ni  Ni79  1  0.005083  0.678360  0.670565  1
  Ni  Ni80  1  0.005083  0.290473  0.691082  1
  Ni  Ni81  1  0.005083  0.905383  0.711194  1
  Ni  Ni82  1  0.505083  0.405383  0.711194  1
  Ni  Ni83  1  0.505083  0.178360  0.670565  1
  Ni  Ni84  1  0.505083  0.790473  0.691082  1
