data_[Sc4Ag8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [14.8346]
_cell_length_b [13.7161]
_cell_length_c [6.7905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc(AgBr3)2]
_chemical_formula_sum '[Sc4 Ag8 Br24]'
_cell_volume [1348.2588]
_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
[
  Sc  Sc0  4  0.0000  0.0775  0.2500  1.0
  Ag  Ag1  8  0.2374  0.4041  0.4552  1.0
  Br  Br2  8  0.1001  0.0686  0.9672  1.0
  Br  Br3  8  0.1167  0.2090  0.4432  1.0
  Br  Br4  8  0.1355  0.4995  0.1603  1.0
]