data_[Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.3259]
_cell_length_b [11.9737]
_cell_length_c [3.8587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Si]
_chemical_formula_sum '[Si16]'
_cell_volume [338.4763]
_cell_formula_units_Z [16]
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  4  0.0260  0.8241  0.0000  1
  Si  Si1  4  0.1052  0.9265  0.5000  1
  Si  Si2  4  0.1414  0.5446  0.5000  1
  Si  Si3  4  0.1945  0.6553  0.0000  1
]