data_[Rb6Tl6Cl18]
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 [R3]
_cell_length_a [8.2007]
_cell_length_b [8.2007]
_cell_length_c [18.6165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbTlCl3]
_chemical_formula_sum '[Rb6 Tl6 Cl18]'
_cell_volume [1084.2426]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.3583  1.0
  Rb  Rb1  3  0.0000  0.0000  0.6314  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0764  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8584  1.0
  Cl  Cl4  9  0.0363  0.2746  0.9451  1.0
  Cl  Cl5  9  0.0872  0.7000  0.4446  1.0
]