# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48215333
_cell_length_b   5.93270836
_cell_length_c   47.53535933
_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   Ni28
_cell_volume   700.00055916
_cell_formula_units_Z   28
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  0.501507  0.574117  0.316776  1
  Ni  Ni2  1  1.001507  0.844376  0.286248  1
  Ni  Ni3  1  1.001507  0.900487  0.337349  1
  Ni  Ni4  1  0.501507  0.169498  0.306676  1
  Ni  Ni5  1  0.501507  0.046862  0.379423  1
  Ni  Ni6  1  1.001507  0.311272  0.348671  1
  Ni  Ni7  1  1.001507  0.372609  0.400318  1
  Ni  Ni8  1  0.501507  0.636730  0.368798  1
  Ni  Ni9  1  0.501507  0.520548  0.442026  1
  Ni  Ni10  1  1.001507  0.783734  0.410695  1
  Ni  Ni11  1  1.001507  0.845214  0.462786  1
  Ni  Ni12  1  0.501507  0.108582  0.431508  1
  Ni  Ni13  1  0.501507  0.993449  0.504526  1
  Ni  Ni14  1  1.001507  0.256944  0.473261  1
  Ni  Ni15  1  1.001507  0.318218  0.525337  1
  Ni  Ni16  1  0.501507  0.581714  0.494072  1
  Ni  Ni17  1  0.501507  0.466581  0.567089  1
  Ni  Ni18  1  1.001507  0.729949  0.535811  1
  Ni  Ni19  1  1.001507  0.791429  0.587903  1
  Ni  Ni20  1  0.501507  0.054615  0.556572  1
  Ni  Ni21  1  0.501507  0.938433  0.629799  1
  Ni  Ni22  1  1.001507  0.202554  0.598280  1
  Ni  Ni23  1  1.001507  0.263891  0.649927  1
  Ni  Ni24  1  0.501507  0.528300  0.619175  1
  Ni  Ni25  1  0.501507  0.405665  0.691922  1
  Ni  Ni26  1  1.001507  0.674676  0.661249  1
  Ni  Ni27  1  1.001507  0.730786  0.712350  1
  Ni  Ni28  1  0.501507  0.001046  0.681821  1
