data_[Si4Ge8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2660]
_cell_length_b [13.8329]
_cell_length_c [6.3325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si(GeSe3)2]
_chemical_formula_sum '[Si4 Ge8 Se24]'
_cell_volume [1051.7701]
_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  0.0000  0.2165  0.2500  1.0
  Ge  Ge1  8  0.2308  0.4160  0.3894  1.0
  Se  Se2  8  0.0850  0.1196  0.5767  1.0
  Se  Se3  8  0.1131  0.2958  0.1163  1.0
  Se  Se4  8  0.1839  0.4255  0.7149  1.0
]