data_[Rb3Lu3Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Lu  1.2700  1.7500  1.0010
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7534]
_cell_length_b [3.7534]
_cell_length_c [33.0024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [RbLuTl2]
_chemical_formula_sum '[Rb3 Lu3 Tl6]'
_cell_volume [402.6475]
_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  0.5000  1
  Lu  Lu1  3  0.0000  0.0000  0.0000  1
  Tl  Tl2  6  0.0000  0.0000  0.2602  1
]