data_[Rb2Si2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9854]
_cell_length_b [9.6958]
_cell_length_c [7.0124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSiBr6]
_chemical_formula_sum '[Rb2 Si2 Br12]'
_cell_volume [566.3817]
_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  2  0.0000  0.0000  0.0000  1
  Si  Si1  2  0.0000  0.5000  0.5000  1
  Br  Br2  8  0.1182  0.3244  0.7562  1
  Br  Br3  4  0.2376  0.5000  0.4199  1
]