data_[Rb12Na4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7070]
_cell_length_b [4.9254]
_cell_length_c [11.8160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3NaTl]
_chemical_formula_sum '[Rb12 Na4 Tl4]'
_cell_volume [1261.4848]
_cell_formula_units_Z [4]
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  4  0.0655  0.5000  0.7190  1.0
  Rb  Rb1  4  0.1017  0.0000  0.0693  1.0
  Rb  Rb2  4  0.2457  0.5000  0.3072  1.0
  Na  Na3  4  0.0839  0.0000  0.4305  1.0
  Tl  Tl4  4  0.2175  0.5000  0.9432  1.0
]