data_[Cs8Si4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5495]
_cell_length_b [7.7904]
_cell_length_c [10.3977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2SiSe4]
_chemical_formula_sum '[Cs8 Si4 Se16]'
_cell_volume [1071.9343]
_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
[
  Cs  Cs0  4  0.0957  0.5000  0.8602  1.0
  Cs  Cs1  4  0.1592  0.0000  0.2918  1.0
  Si  Si2  4  0.1532  0.0000  0.7025  1.0
  Se  Se3  8  0.0888  0.2400  0.5425  1.0
  Se  Se4  4  0.1233  0.0000  0.8890  1.0
  Se  Se5  4  0.1926  0.5000  0.2668  1.0
]