# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95218196
_cell_length_b   4.95218196
_cell_length_c   46.80567329
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   994.082242177
_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  0.837248  0.169277  0.303901  1
  Ni  Ni2  1  0.837248  0.669277  0.303901  1
  Ni  Ni3  1  0.337248  0.669277  0.303901  1
  Ni  Ni4  1  0.337248  0.169277  0.303901  1
  Ni  Ni5  1  0.170582  0.835943  0.347018  1
  Ni  Ni6  1  0.170582  0.335943  0.347018  1
  Ni  Ni7  1  0.670582  0.335943  0.347018  1
  Ni  Ni8  1  0.670582  0.835943  0.347018  1
  Ni  Ni9  1  0.503915  0.502610  0.390461  1
  Ni  Ni10  1  0.503915  1.002610  0.390461  1
  Ni  Ni11  1  0.003915  1.002610  0.390461  1
  Ni  Ni12  1  0.003915  0.502610  0.390461  1
  Ni  Ni13  1  0.837248  0.169277  0.434005  1
  Ni  Ni14  1  0.837248  0.669277  0.434005  1
  Ni  Ni15  1  0.337248  0.669277  0.434005  1
  Ni  Ni16  1  0.337248  0.169277  0.434005  1
  Ni  Ni17  1  0.170582  0.835943  0.477550  1
  Ni  Ni18  1  0.170582  0.335943  0.477550  1
  Ni  Ni19  1  0.670582  0.335943  0.477550  1
  Ni  Ni20  1  0.670582  0.835943  0.477550  1
  Ni  Ni21  1  0.503915  0.502610  0.521095  1
  Ni  Ni22  1  0.503915  1.002610  0.521095  1
  Ni  Ni23  1  0.003915  1.002610  0.521095  1
  Ni  Ni24  1  0.003915  0.502610  0.521095  1
  Ni  Ni25  1  0.837248  0.169277  0.564640  1
  Ni  Ni26  1  0.837248  0.669277  0.564640  1
  Ni  Ni27  1  0.337248  0.669277  0.564640  1
  Ni  Ni28  1  0.337248  0.169277  0.564640  1
  Ni  Ni29  1  0.170582  0.835943  0.608185  1
  Ni  Ni30  1  0.170582  0.335943  0.608185  1
  Ni  Ni31  1  0.670582  0.335943  0.608185  1
  Ni  Ni32  1  0.670582  0.835943  0.608185  1
  Ni  Ni33  1  0.503915  0.502610  0.651627  1
  Ni  Ni34  1  0.503915  1.002610  0.651627  1
  Ni  Ni35  1  0.003915  1.002610  0.651627  1
  Ni  Ni36  1  0.003915  0.502610  0.651627  1
  Ni  Ni37  1  0.837248  0.169277  0.694744  1
  Ni  Ni38  1  0.837248  0.669277  0.694744  1
  Ni  Ni39  1  0.337248  0.669277  0.694744  1
  Ni  Ni40  1  0.337248  0.169277  0.694744  1
