data_[Cd4Sn2Au2]
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 [4.2494]
_cell_length_b [8.6374]
_cell_length_c [5.4687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd2SnAu]
_chemical_formula_sum '[Cd4 Sn2 Au2]'
_cell_volume [188.2529]
_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  4  0.3671  0.0497  0.7257  1.0
  Sn  Sn1  2  0.0787  0.2500  0.1117  1.0
  Au  Au2  2  0.2207  0.7500  0.4736  1.0
]