data_[Si8H60C20N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4419]
_cell_length_b [12.8257]
_cell_length_c [11.2354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Si2H15C5N]
_chemical_formula_sum '[Si8 H60 C20 N4]'
_cell_volume [876.0346]
_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  4  0.0537  0.0924  0.9911  1
  Si  Si1  4  0.2804  0.5011  0.7681  1
  H  H2  4  0.0162  0.1047  0.3378  1
  H  H3  4  0.0334  0.0305  0.6517  1
  H  H4  4  0.0414  0.2443  0.6083  1
  H  H5  4  0.1476  0.7384  0.0473  1
  H  H6  4  0.1880  0.0303  0.4659  1
  H  H7  4  0.2100  0.1826  0.8449  1
  H  H8  4  0.2130  0.6865  0.4318  1
  H  H9  4  0.2917  0.6944  0.7965  1
  H  H10  4  0.3696  0.0704  0.9117  1
  H  H11  4  0.3961  0.1872  0.0013  1
  H  H12  4  0.3962  0.5890  0.2604  1
  H  H13  4  0.4007  0.6068  0.1046  1
  H  H14  4  0.4206  0.1805  0.2699  1
  H  H15  4  0.4751  0.1487  0.7386  1
  H  H16  4  0.4889  0.1346  0.5836  1
  C  C17  4  0.0785  0.7097  0.4659  1
  C  C18  4  0.0971  0.0285  0.3641  1
  C  C19  4  0.2786  0.1367  0.9320  1
  C  C20  4  0.4145  0.6316  0.8154  1
  C  C21  4  0.4955  0.1032  0.2958  1
  N  N22  4  0.1302  0.5036  0.6089  1
]