data_[Cd4In1Au1]
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 [P-1]
_cell_length_a [3.9628]
_cell_length_b [4.0895]
_cell_length_c [8.6841]
_cell_angle_alpha [88.9317]
_cell_angle_beta [88.8304]
_cell_angle_gamma [82.8399]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd4InAu]
_chemical_formula_sum '[Cd4 In1 Au1]'
_cell_volume [139.5878]
_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
[
  Cd  Cd0  2  0.0696  0.5647  0.6550  1.0
  Cd  Cd1  2  0.4707  0.9722  0.1748  1.0
  In  In2  1  0.0000  0.5000  0.0000  1.0
  Au  Au3  1  0.5000  0.0000  0.5000  1.0
]