data_[Cd2In2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7846]
_cell_length_b [3.6854]
_cell_length_c [4.7411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdInAu2]
_chemical_formula_sum '[Cd2 In2 Au4]'
_cell_volume [163.9502]
_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  0.4935  0.0000  0.4600  1.0
  In  In1  2  0.2562  0.0000  0.7885  1.0
  Au  Au2  2  0.2506  0.5000  0.2805  1.0
  Au  Au3  2  0.4997  0.5000  0.9710  1.0
]