data_[Cs4H4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.5253]
_cell_length_b [14.7776]
_cell_length_c [7.9164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsHSe3]
_chemical_formula_sum '[Cs4 H4 Se12]'
_cell_volume [617.5764]
_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  0.0000  0.1409  0.2500  1.0
  H  H1  4  0.0000  0.4196  0.2500  1.0
  Se  Se2  8  0.1545  0.4162  0.0814  1.0
  Se  Se3  4  0.0000  0.1755  0.7500  1.0
]