data_[Rb12In4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6273]
_cell_length_b [13.7231]
_cell_length_c [8.4899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3InAu3]
_chemical_formula_sum '[Rb12 In4 Au12]'
_cell_volume [1118.5468]
_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  0.1537  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2389  0.0000  1.0
  Rb  Rb2  4  0.1200  0.5000  0.3286  1.0
  In  In3  4  0.2375  0.0000  0.1203  1.0
  Au  Au4  8  0.1899  0.3391  0.6928  1.0
  Au  Au5  4  0.0554  0.0000  0.8391  1.0
]