data_[Sr8Sn8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [11.7759]
_cell_length_b [4.9026]
_cell_length_c [11.8624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Sn2Au]
_chemical_formula_sum '[Sr8 Sn8 Au4]'
_cell_volume [605.5488]
_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
[
  Sr  Sr0  4  0.0147  0.0000  0.3317  1.0
  Sr  Sr1  4  0.1882  0.0000  0.1122  1.0
  Sn  Sn2  4  0.0191  0.5000  0.8848  1.0
  Sn  Sn3  4  0.1455  0.5000  0.5552  1.0
  Au  Au4  4  0.2267  0.5000  0.3397  1.0
]