data_[Rb18Mg3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0982]
_cell_length_b [10.0982]
_cell_length_c [19.8650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Rb6MgBr8]
_chemical_formula_sum '[Rb18 Mg3 Br24]'
_cell_volume [1754.3227]
_cell_formula_units_Z [3]
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  0.0227  0.4035  0.9190  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Br  Br2  18  0.0113  0.2295  0.0798  1
  Br  Br3  6  0.0000  0.0000  0.3462  1
]