data_[In2Sn4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [8.7332]
_cell_length_b [4.9882]
_cell_length_c [8.9131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In(SnAu3)2]
_chemical_formula_sum '[In2 Sn4 Au12]'
_cell_volume [377.3883]
_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
[
  In  In0  2  0.0000  0.0000  0.5000  1
  Sn  Sn1  4  0.2042  0.5000  0.1346  1
  Au  Au2  4  0.0476  0.0000  0.1784  1
  Au  Au3  4  0.1152  0.5000  0.8004  1
  Au  Au4  4  0.1648  0.5000  0.4797  1
]