data_[Rb3Mg6Tl12In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [5.2561]
_cell_length_b [5.2561]
_cell_length_c [32.9815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [RbMg2Tl4In]
_chemical_formula_sum '[Rb3 Mg6 Tl12 In3]'
_cell_volume [789.0823]
_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  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  6  0.0000  0.0000  0.2222  1.0
  Tl  Tl2  6  0.0000  0.0000  0.1223  1.0
  Tl  Tl3  6  0.0000  0.0000  0.4045  1.0
  In  In4  3  -0.0000  -0.0000  0.5000  1.0
]