data_[K9Rb9Mg3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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-3m]
_cell_length_a [9.6373]
_cell_length_b [9.6373]
_cell_length_c [22.9873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Rb3MgBr8]
_chemical_formula_sum '[K9 Rb9 Mg3 Br24]'
_cell_volume [1848.9849]
_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  9  0.0000  0.5000  0.0000  1.0
  K  K1  9  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0638  0.5319  0.7372  1.0
  Br  Br4  6  0.0000  0.0000  0.2457  1.0
]