data_[Cd2Sn4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3541]
_cell_length_b [8.9735]
_cell_length_c [5.3192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdSn2Au]
_chemical_formula_sum '[Cd2 Sn4 Au2]'
_cell_volume [199.3664]
_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
[
  Cd  Cd0  2  0.0541  0.7500  0.1217  1.0
  Sn  Sn1  4  0.3147  0.5494  0.7221  1.0
  Au  Au2  2  0.2894  0.2500  0.4680  1.0
]