data_[Ca4Cd8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [13.8172]
_cell_length_b [12.6757]
_cell_length_c [7.5212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca(CdBr3)2]
_chemical_formula_sum '[Ca4 Cd8 Br24]'
_cell_volume [1297.2870]
_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
[
  Ca  Ca0  4  0.0000  0.1038  0.7500  1.0
  Cd  Cd1  8  0.1872  0.4181  0.8170  1.0
  Br  Br2  8  0.1132  0.0756  0.1190  1.0
  Br  Br3  8  0.1260  0.4096  0.1310  1.0
  Br  Br4  8  0.1289  0.2510  0.6232  1.0
]