data_[Rb2Mg12Tl12]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.3943]
_cell_length_b [10.2689]
_cell_length_c [10.9486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Rb(MgTl)6]
_chemical_formula_sum '[Rb2 Mg12 Tl12]'
_cell_volume [718.9105]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  8  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  4  0.0000  0.2584  0.5000  1.0
  Tl  Tl3  4  0.0000  0.0000  0.3444  1.0
  Tl  Tl4  4  0.0000  0.3470  0.0000  1.0
  Tl  Tl5  4  0.0000  0.5000  0.3157  1.0
]