data_[Cd4H8Se4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.3137]
_cell_length_b [8.3650]
_cell_length_c [6.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CdH2SeBr2]
_chemical_formula_sum '[Cd4 H8 Se4 Br8]'
_cell_volume [632.7053]
_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
[
  Cd  Cd0  4  0.0000  0.4095  0.5702  1.0
  H  H1  8  0.0933  0.2100  0.1905  1.0
  Se  Se2  4  0.0000  0.1427  0.3244  1.0
  Br  Br3  8  0.1617  0.3879  0.8756  1.0
]