data_[Rb18Dy12Br54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Dy  1.2200  1.7500  1.1310
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [13.7133]
_cell_length_b [13.7133]
_cell_length_c [19.7104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Rb3Dy2Br9]
_chemical_formula_sum '[Rb18 Dy12 Br54]'
_cell_volume [3210.0229]
_cell_formula_units_Z [6]
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  18  0.0000  0.3304  0.7500  1
  Dy  Dy1  12  0.0000  0.0000  0.1507  1
  Br  Br2  36  0.0100  0.1815  0.9116  1
  Br  Br3  18  0.0000  0.1571  0.2500  1
]