data_[Rb4Sc4Ag4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [9.0410]
_cell_length_b [12.8364]
_cell_length_c [10.3316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbScAgBr5]
_chemical_formula_sum '[Rb4 Sc4 Ag4 Br20]'
_cell_volume [1125.2509]
_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
[
  Rb  Rb0  4  0.0000  0.3423  0.7500  1.0
  Sc  Sc1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.3135  0.2500  1.0
  Br  Br3  8  0.0983  0.1914  0.0833  1.0
  Br  Br4  8  0.2014  0.4418  0.4425  1.0
  Br  Br5  4  0.0000  0.0628  0.7500  1.0
]