data_[Cs12Mg6Tl36In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9265]
_cell_length_b [7.9265]
_cell_length_c [42.7140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2MgTl6In]
_chemical_formula_sum '[Cs12 Mg6 Tl36 In6]'
_cell_volume [2324.1368]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1392  1.0
  Cs  Cs1  6  0.0000  0.0000  0.3127  1.0
  Mg  Mg2  6  0.0000  0.0000  0.4215  1.0
  Tl  Tl3  18  0.0468  0.5234  0.7238  1.0
  Tl  Tl4  18  0.0605  0.5302  0.8872  1.0
  In  In5  3  -0.0000  -0.0000  0.5000  1.0
  In  In6  3  0.0000  0.0000  0.0000  1.0
]