data_[Rb12Tl4Au12]
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 [C2/m]
_cell_length_a [9.7471]
_cell_length_b [13.9721]
_cell_length_c [8.6082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3TlAu3]
_chemical_formula_sum '[Rb12 Tl4 Au12]'
_cell_volume [1171.0573]
_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  0.0000  0.1529  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2329  0.0000  1.0
  Rb  Rb2  4  0.1203  0.5000  0.3307  1.0
  Tl  Tl3  4  0.2454  0.0000  0.1169  1.0
  Au  Au4  8  0.1799  0.3372  0.6883  1.0
  Au  Au5  4  0.0556  0.0000  0.8331  1.0
]