data_[Si1H5Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7893]
_cell_length_b [5.8451]
_cell_length_c [5.9325]
_cell_angle_alpha [115.6437]
_cell_angle_beta [108.6039]
_cell_angle_gamma [103.2936]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiH5Cl2]
_chemical_formula_sum '[Si1 H5 Cl2]'
_cell_volume [154.7947]
_cell_formula_units_Z [1]
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  0.7199  0.6921  0.9742  1
  H  H1  1  0.0358  0.1549  0.8486  1
  H  H2  1  0.3852  0.9816  0.3673  1
  H  H3  1  0.8653  0.9944  0.2053  1
  H  H4  1  0.8675  0.5896  0.8194  1
  H  H5  1  0.8969  0.0541  0.7243  1
  Cl  Cl6  1  0.3550  0.6224  0.6875  1
  Cl  Cl7  1  0.6514  0.4648  0.1503  1
]