data_[Rb4Ge4Br12]
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 [Pna2_1]
_cell_length_a [8.3680]
_cell_length_b [7.7826]
_cell_length_c [11.4055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [RbGeBr3]
_chemical_formula_sum '[Rb4 Ge4 Br12]'
_cell_volume [742.7853]
_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  0.0775  0.4749  0.2494  1.0
  Ge  Ge1  4  0.0308  0.9837  0.0191  1.0
  Br  Br2  4  0.0011  0.9282  0.2404  1.0
  Br  Br3  4  0.1837  0.7072  0.9689  1.0
  Br  Br4  4  0.2187  0.6763  0.5374  1.0
]