data_[Rb3Sr6Tl27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5551]
_cell_length_b [6.5551]
_cell_length_c [33.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [RbSr2Tl9]
_chemical_formula_sum '[Rb3 Sr6 Tl27]'
_cell_volume [1230.1009]
_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  0.0000  1
  Sr  Sr1  6  0.0000  0.0000  0.1395  1
  Tl  Tl2  18  0.0045  0.5023  0.9138  1
  Tl  Tl3  6  0.0000  0.0000  0.3359  1
  Tl  Tl4  3  -0.0000  -0.0000  0.5000  1
]