data_[Si1H2Se1S1]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4499]
_cell_length_b [5.0075]
_cell_length_c [6.7505]
_cell_angle_alpha [68.4890]
_cell_angle_beta [87.5034]
_cell_angle_gamma [88.8169]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiH2SeS]
_chemical_formula_sum '[Si1 H2 Se1 S1]'
_cell_volume [108.3894]
_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  0.6542  0.4684  0.2406  1
  H  H1  1  0.0090  0.6419  0.8449  1
  H  H2  1  0.6584  0.7682  0.2352  1
  Se  Se3  1  0.6463  0.4654  0.9024  1
  S  S4  1  0.1497  0.2365  0.4195  1
]