data_[Mg3Tl6Cd3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7207]
_cell_length_b [7.7207]
_cell_length_c [18.6703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MgTl2CdBr6]
_chemical_formula_sum '[Mg3 Tl6 Cd3 Br18]'
_cell_volume [963.8325]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.6830  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4509  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9523  1.0
  Cd  Cd3  3  0.0000  0.0000  0.1837  1.0
  Br  Br4  9  0.0025  0.4325  0.4270  1.0
  Br  Br5  9  0.1036  0.7573  0.2624  1.0
]