data_[Cs3Rb1Mg2Br8]
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 [8.3765]
_cell_length_b [8.3765]
_cell_length_c [10.3304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3RbMg2Br8]
_chemical_formula_sum '[Cs3 Rb1 Mg2 Br8]'
_cell_volume [627.7373]
_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  0.3765  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  0.8013  1.0
  Br  Br4  6  0.1746  0.3492  0.7027  1.0
  Br  Br5  2  0.3333  0.6667  0.0387  1.0
]