data_[Rb3La3Tl6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3389]
_cell_length_b [8.3389]
_cell_length_c [21.7678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbLa(TlBr3)2]
_chemical_formula_sum '[Rb3 La3 Tl6 Br18]'
_cell_volume [1310.8725]
_cell_formula_units_Z [3]
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  0.5023  1.0
  La  La1  3  0.0000  0.0000  0.9921  1.0
  Tl  Tl2  3  0.0000  0.0000  0.2999  1.0
  Tl  Tl3  3  0.0000  0.0000  0.7904  1.0
  Br  Br4  9  0.0040  0.2771  0.9047  1.0
  Br  Br5  9  0.0138  0.6305  0.7295  1.0
]