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 [P2_1/c]
_cell_length_a [8.9418]
_cell_length_b [6.3404]
_cell_length_c [13.2062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbTlCl3]
_chemical_formula_sum '[Rb4 Tl4 Cl12]'
_cell_volume [707.0243]
_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  0.2917  0.1930  0.8191  1.0
  Tl  Tl1  4  0.1107  0.6685  0.9999  1.0
  Cl  Cl2  4  0.1276  0.6840  0.8078  1.0
  Cl  Cl3  4  0.2077  0.0454  0.0505  1.0
  Cl  Cl4  4  0.3849  0.5181  0.1153  1.0
]