data_[Rb4W4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7423]
_cell_length_b [7.9300]
_cell_length_c [10.0908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbWBr5]
_chemical_formula_sum '[Rb4 W4 Br20]'
_cell_volume [1103.7199]
_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  0.4813  0.7500  1
  W  W1  4  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1282  0.2242  0.0325  1
  Br  Br3  8  0.1319  0.2175  0.6023  1
  Br  Br4  4  0.0000  0.0885  0.2500  1
]