data_[Rb12Zn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2476]
_cell_length_b [10.5984]
_cell_length_c [13.6692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Rb3ZnBr5]
_chemical_formula_sum '[Rb12 Zn4 Br20]'
_cell_volume [1339.7228]
_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  8  0.0898  0.0209  0.8277  1
  Rb  Rb1  4  0.0853  0.2500  0.5467  1
  Zn  Zn2  4  0.1895  0.2500  0.1079  1
  Br  Br3  8  0.1849  0.5581  0.5631  1
  Br  Br4  4  0.0354  0.7500  0.9873  1
  Br  Br5  4  0.1352  0.2500  0.2811  1
  Br  Br6  4  0.1595  0.7500  0.2645  1
]