data_[Rb12Tl2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.2650]
_cell_length_b [8.6108]
_cell_length_c [15.0740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb6TlAu3]
_chemical_formula_sum '[Rb12 Tl2 Au6]'
_cell_volume [1010.5729]
_cell_formula_units_Z [2]
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  0.0975  0.1330  0.4046  1
  Rb  Rb1  4  0.2746  0.6555  0.4122  1
  Rb  Rb2  4  0.4703  0.0086  0.2649  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.1300  0.2296  0.6477  1
  Au  Au5  2  0.5000  0.0000  0.5000  1
]