data_[Rb4Mg4Tl12]
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 [Cmcm]
_cell_length_a [8.0206]
_cell_length_b [14.2254]
_cell_length_c [6.0454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbMgTl3]
_chemical_formula_sum '[Rb4 Mg4 Tl12]'
_cell_volume [689.7587]
_cell_formula_units_Z [4]
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  0.0000  0.3953  0.2500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2216  0.1499  0.2500  1.0
  Tl  Tl3  4  0.0000  0.1893  0.7500  1.0
]