data_[Si8]
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 [P1]
_cell_length_a [3.9746]
_cell_length_b [5.4551]
_cell_length_c [9.0145]
_cell_angle_alpha [73.8270]
_cell_angle_beta [89.2970]
_cell_angle_gamma [68.7605]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si]
_chemical_formula_sum '[Si8]'
_cell_volume [174.1077]
_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  1  0.1590  0.8711  0.8016  1
  Si  Si1  1  0.4321  0.6440  0.5113  1
  Si  Si2  1  0.4334  0.2444  0.2407  1
  Si  Si3  1  0.4907  0.5665  0.0001  1
  Si  Si4  1  0.7133  0.5246  0.6823  1
  Si  Si5  1  0.8743  0.9902  0.6285  1
  Si  Si6  1  0.9053  0.9100  0.0823  1
  Si  Si7  1  0.9993  0.2707  0.0597  1
]