data_[Sn4As8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2340]
_cell_length_b [4.2341]
_cell_length_c [7.8376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SnAs2Au3]
_chemical_formula_sum '[Sn4 As8 Au12]'
_cell_volume [530.4061]
_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
[
  Sn  Sn0  4  0.0000  0.0000  0.0000  1
  As  As1  8  0.1600  0.3767  0.2593  1
  Au  Au2  8  0.1801  0.0777  0.5554  1
  Au  Au3  4  0.0000  0.4955  0.2500  1
]