data_[Sn11Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.6212]
_cell_length_b [8.6212]
_cell_length_c [18.2596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Sn11Au4]
_chemical_formula_sum '[Sn11 Au4]'
_cell_volume [1175.3265]
_cell_formula_units_Z [1]
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  6  0.1997  0.4103  0.5808  1
  Sn  Sn1  3  0.0000  0.2325  0.4235  1
  Sn  Sn2  2  0.3333  0.6667  0.4023  1
  Au  Au3  3  0.0000  0.5665  0.4637  1
  Au  Au4  1  0.0000  0.0000  0.5488  1
]