data_[Si16Ni24]
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 [Fdd2]
_cell_length_a [8.4211]
_cell_length_b [11.6526]
_cell_length_c [4.5175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Si2Ni3]
_chemical_formula_sum '[Si16 Ni24]'
_cell_volume [443.2894]
_cell_formula_units_Z [8]
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  16  0.0338  0.1991  0.8764  1.0
  Ni  Ni1  16  0.0531  0.1044  0.4138  1.0
  Ni  Ni2  8  0.0000  0.0000  0.9195  1.0
]