data_[Rb12Zn4Br24]
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 [Cmc2_1]
_cell_length_a [14.6903]
_cell_length_b [19.0115]
_cell_length_c [6.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb3ZnBr6]
_chemical_formula_sum '[Rb12 Zn4 Br24]'
_cell_volume [1729.2580]
_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  0.1834  0.1221  0.4810  1.0
  Rb  Rb1  4  0.0000  0.3826  0.4535  1.0
  Zn  Zn2  4  0.0000  0.2072  0.0387  1.0
  Br  Br3  8  0.1397  0.2680  0.1534  1.0
  Br  Br4  8  0.1632  0.4984  0.7204  1.0
  Br  Br5  4  0.0000  0.0827  0.1349  1.0
  Br  Br6  4  0.0000  0.2151  0.6487  1.0
]