data_[Cs4Sc4Ag8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5451]
_cell_length_b [13.7359]
_cell_length_c [8.9897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsSc(AgBr3)2]
_chemical_formula_sum '[Cs4 Sc4 Ag8 Br24]'
_cell_volume [1613.0866]
_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  0.1662  0.2500  1.0
  Sc  Sc1  4  0.0000  0.1823  0.7500  1.0
  Ag  Ag2  8  0.0880  0.4648  0.1476  1.0
  Br  Br3  8  0.1140  0.2804  0.9994  1.0
  Br  Br4  8  0.1151  0.0753  0.6812  1.0
  Br  Br5  8  0.1333  0.4147  0.4585  1.0
]