# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47520697
_cell_length_b   5.86641135
_cell_length_c   47.05252533
_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   683.23006425
_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  0.501604  0.307061  0.286225  1
  Ni  Ni2  1  0.001604  0.039012  0.316949  1
  Ni  Ni3  1  0.001604  0.631663  0.306784  1
  Ni  Ni4  1  0.501604  0.362438  0.337655  1
  Ni  Ni5  1  0.501604  0.773167  0.348452  1
  Ni  Ni6  1  0.001604  0.505694  0.379291  1
  Ni  Ni7  1  0.001604  0.095597  0.368879  1
  Ni  Ni8  1  0.501604  0.828060  0.400244  1
  Ni  Ni9  1  0.501604  0.238616  0.410641  1
  Ni  Ni10  1  0.001604  0.971492  0.441973  1
  Ni  Ni11  1  1.001604  0.560767  0.431475  1
  Ni  Ni12  1  0.501604  0.293742  0.462780  1
  Ni  Ni13  1  0.501604  0.704255  0.473263  1
  Ni  Ni14  1  1.001604  0.437094  0.504566  1
  Ni  Ni15  1  1.001604  0.026566  0.494085  1
  Ni  Ni16  1  0.501604  0.759405  0.525389  1
  Ni  Ni17  1  0.501604  0.169918  0.535871  1
  Ni  Ni18  1  1.001604  0.902893  0.567176  1
  Ni  Ni19  1  1.001604  0.492168  0.556678  1
  Ni  Ni20  1  0.501604  0.225044  0.588011  1
  Ni  Ni21  1  0.501604  0.635600  0.598407  1
  Ni  Ni22  1  1.001604  0.368063  0.629773  1
  Ni  Ni23  1  1.001604  0.957966  0.619361  1
  Ni  Ni24  1  0.501604  0.690494  0.650199  1
  Ni  Ni25  1  0.501604  0.101223  0.660997  1
  Ni  Ni26  1  0.001604  0.831997  0.691867  1
  Ni  Ni27  1  1.001604  0.424648  0.681703  1
  Ni  Ni28  1  0.501604  0.156600  0.712427  1
