data_[Cs4H4Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9678]
_cell_length_b [6.0387]
_cell_length_c [10.5376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsHBr2]
_chemical_formula_sum '[Cs4 H4 Br8]'
_cell_volume [665.0948]
_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  0.2500  0.2500  0.5000  1.0
  H  H1  4  0.0000  0.5000  0.0000  1.0
  Br  Br2  8  0.1028  0.2888  0.0958  1.0
]