data_[Rb4Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4017]
_cell_length_b [15.5922]
_cell_length_c [8.1741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbTlCl3]
_chemical_formula_sum '[Rb4 Tl4 Cl12]'
_cell_volume [688.4586]
_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  0.1999  0.7500  1.0
  Tl  Tl1  4  0.0000  0.4848  0.7500  1.0
  Cl  Cl2  8  0.0000  0.3623  0.0177  1.0
  Cl  Cl3  4  0.0000  0.0132  0.2500  1.0
]