data_[Si4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7255]
_cell_length_b [3.3163]
_cell_length_c [8.0114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiSe2]
_chemical_formula_sum '[Si4 Se8]'
_cell_volume [362.4238]
_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  2  0.1358  0.0000  0.6382  1
  Si  Si1  2  0.2519  0.5000  0.9667  1
  Se  Se2  2  0.0749  0.5000  0.4636  1
  Se  Se3  2  0.0844  0.0000  0.9011  1
  Se  Se4  2  0.3028  0.0000  0.7073  1
  Se  Se5  2  0.3169  0.0000  0.1565  1
]