data_[Cs3Rb1Mg2Br9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-3m1]
_cell_length_a [7.8115]
_cell_length_b [7.8115]
_cell_length_c [11.1737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3RbMg2Br9]
_chemical_formula_sum '[Cs3 Rb1 Mg2 Br9]'
_cell_volume [590.4643]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.2692  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Rb  Rb2  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg3  2  0.3333  0.6667  0.8502  1.0
  Br  Br4  6  0.1731  0.3462  0.7183  1.0
  Br  Br5  3  0.0000  0.5000  0.0000  1.0
]