data_[Si64C24Cl160]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [32.3458]
_cell_length_b [11.2842]
_cell_length_c [20.7971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si8C3Cl20]
_chemical_formula_sum '[Si64 C24 Cl160]'
_cell_volume [6797.7600]
_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  8  0.0742  0.0873  0.2008  1
  Si  Si1  8  0.0804  0.1569  0.0457  1
  Si  Si2  8  0.0988  0.4124  0.8744  1
  Si  Si3  8  0.1223  0.4374  0.0400  1
  Si  Si4  8  0.1431  0.0397  0.6560  1
  Si  Si5  8  0.1444  0.2416  0.1627  1
  Si  Si6  8  0.1671  0.2707  0.0148  1
  Si  Si7  8  0.1867  0.4452  0.4763  1
  C  C8  8  0.1074  0.1004  0.1444  1
  C  C9  8  0.1285  0.2725  0.0638  1
  C  C10  8  0.1464  0.4260  0.9710  1
  Cl  Cl11  8  0.0165  0.2311  0.0120  1
  Cl  Cl12  8  0.0179  0.1951  0.1721  1
  Cl  Cl13  8  0.0473  0.3013  0.8700  1
  Cl  Cl14  8  0.0491  0.0800  0.6986  1
  Cl  Cl15  8  0.0601  0.4803  0.5079  1
  Cl  Cl16  8  0.0677  0.4287  0.3340  1
  Cl  Cl17  8  0.0708  0.0254  0.9731  1
  Cl  Cl18  8  0.1059  0.1875  0.6077  1
  Cl  Cl19  8  0.1136  0.3690  0.1974  1
  Cl  Cl20  8  0.1173  0.1250  0.3062  1
  Cl  Cl21  8  0.1203  0.3463  0.8031  1
  Cl  Cl22  8  0.1562  0.1399  0.9415  1
  Cl  Cl23  8  0.1568  0.2875  0.4812  1
  Cl  Cl24  8  0.1698  0.4710  0.6274  1
  Cl  Cl25  8  0.1816  0.0821  0.7618  1
  Cl  Cl26  8  0.1890  0.0147  0.6139  1
  Cl  Cl27  8  0.1990  0.4365  0.3881  1
  Cl  Cl28  8  0.2120  0.2325  0.2370  1
  Cl  Cl29  8  0.2360  0.2619  0.0835  1
  Cl  Cl30  8  0.2490  0.0551  0.4383  1
]