data_[Rb4Li2Sc2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6070]
_cell_length_b [7.6229]
_cell_length_c [13.2360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2LiScBr6]
_chemical_formula_sum '[Rb4 Li2 Sc2 Br12]'
_cell_volume [628.8334]
_cell_formula_units_Z [2]
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  0.2413  0.5328  0.2489  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  2  0.5000  0.0000  0.5000  1
  Br  Br3  4  0.2011  0.7151  0.9760  1
  Br  Br4  4  0.2658  0.2235  0.9799  1
  Br  Br5  4  0.2994  0.0038  0.2557  1
]