data_[Rb6Mg4Tl16]
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 [C2/m]
_cell_length_a [12.6166]
_cell_length_b [6.7453]
_cell_length_c [12.1723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3(MgTl4)2]
_chemical_formula_sum '[Rb6 Mg4 Tl16]'
_cell_volume [1010.0420]
_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  4  0.2242  0.0000  0.7640  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.0509  0.5000  0.6845  1
  Tl  Tl3  8  0.1216  0.2540  0.4796  1
  Tl  Tl4  4  0.1893  0.5000  0.9294  1
  Tl  Tl5  4  0.1900  0.0000  0.2867  1
]