data_[Rb4Li4Sc4Br20]
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 [C2/c]
_cell_length_a [9.2480]
_cell_length_b [12.5645]
_cell_length_c [10.2772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbLiScBr5]
_chemical_formula_sum '[Rb4 Li4 Sc4 Br20]'
_cell_volume [1099.7453]
_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  0.3414  0.7500  1.0
  Li  Li1  4  0.0000  0.3063  0.2500  1.0
  Sc  Sc2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0988  0.1950  0.0954  1.0
  Br  Br4  8  0.2046  0.4351  0.4257  1.0
  Br  Br5  4  0.0000  0.0652  0.7500  1.0
]