data_[Si8Ni20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6239]
_cell_length_b [4.1766]
_cell_length_c [6.5122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2Ni5]
_chemical_formula_sum '[Si8 Ni20]'
_cell_volume [313.5236]
_cell_formula_units_Z [4]
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
[
  Si  Si0  8  0.0985  0.3085  0.0905  1.0
  Ni  Ni1  8  0.1086  0.1810  0.4376  1.0
  Ni  Ni2  8  0.2134  0.3342  0.8147  1.0
  Ni  Ni3  4  0.0000  0.2936  0.7500  1.0
]