data_[Rb2Ge4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6869]
_cell_length_b [5.1189]
_cell_length_c [11.3645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb(GeBr3)2]
_chemical_formula_sum '[Rb2 Ge4 Br12]'
_cell_volume [719.2023]
_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  0.5000  1.0
  Ge  Ge1  4  0.1787  0.0000  0.1673  1.0
  Br  Br2  4  0.0087  0.0000  0.1872  1.0
  Br  Br3  4  0.1923  0.5000  0.5987  1.0
  Br  Br4  4  0.1955  0.5000  0.1133  1.0
]