data_[Rb6Sn18Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6319]
_cell_length_b [4.7298]
_cell_length_c [11.6720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSn3Au2]
_chemical_formula_sum '[Rb6 Sn18 Au12]'
_cell_volume [994.6853]
_cell_formula_units_Z [6]
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  0.1603  0.0000  0.7075  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0376  0.0000  0.3492  1
  Sn  Sn3  4  0.1218  0.5000  0.2006  1
  Sn  Sn4  4  0.1731  0.5000  0.9654  1
  Sn  Sn5  4  0.2090  0.0000  0.3740  1
  Sn  Sn6  2  0.0000  0.5000  0.5000  1
  Au  Au7  4  0.0343  0.5000  0.7932  1
  Au  Au8  4  0.1496  0.5000  0.4633  1
  Au  Au9  4  0.1963  0.0000  0.1180  1
]