data_[Cd4In8Ag4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2499]
_cell_length_b [19.1396]
_cell_length_c [14.5499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CdIn2AgBr5]
_chemical_formula_sum '[Cd4 In8 Ag4 Br20]'
_cell_volume [1183.5057]
_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  0.2157  0.0276  1.0
  In  In1  4  0.0000  0.0932  0.6613  1.0
  In  In2  4  0.0000  0.1337  0.3121  1.0
  Ag  Ag3  4  0.0000  0.4502  0.4382  1.0
  Br  Br4  4  0.0000  0.0660  0.0533  1.0
  Br  Br5  4  0.0000  0.2733  0.6592  1.0
  Br  Br6  4  0.0000  0.3011  0.3984  1.0
  Br  Br7  4  0.0000  0.3610  0.9986  1.0
  Br  Br8  4  0.0000  0.4917  0.7754  1.0
]