data_[Cs1Rb14Tl27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.3936]
_cell_length_b [10.3936]
_cell_length_c [17.6199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [CsRb14Tl27]
_chemical_formula_sum '[Cs1 Rb14 Tl27]'
_cell_volume [1648.4061]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1
  Rb  Rb1  6  0.0000  0.2697  0.3123  1
  Rb  Rb2  6  0.0000  0.6120  0.1847  1
  Rb  Rb3  2  0.3333  0.6667  0.0000  1
  Tl  Tl4  6  0.0000  0.2898  0.0922  1
  Tl  Tl5  6  0.0000  0.6201  0.3963  1
  Tl  Tl6  6  0.1735  0.4630  0.5000  1
  Tl  Tl7  4  0.3333  0.6667  0.3389  1
  Tl  Tl8  3  0.0000  0.7853  0.0000  1
  Tl  Tl9  2  0.0000  0.0000  0.1520  1
]