data_[Cs4Mg4Cd4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6717]
_cell_length_b [12.8987]
_cell_length_c [10.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsMgCdBr5]
_chemical_formula_sum '[Cs4 Mg4 Cd4 Br20]'
_cell_volume [1169.5855]
_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  0.3438  0.7500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.3069  0.2500  1.0
  Br  Br3  8  0.1057  0.1929  0.0907  1.0
  Br  Br4  8  0.2020  0.4268  0.4404  1.0
  Br  Br5  4  0.0000  0.0600  0.7500  1.0
]