data_[Cd1In4Au5]
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 [P1]
_cell_length_a [5.6674]
_cell_length_b [6.2315]
_cell_length_c [6.9983]
_cell_angle_alpha [65.2682]
_cell_angle_beta [81.9674]
_cell_angle_gamma [89.8569]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdIn4Au5]
_chemical_formula_sum '[Cd1 In4 Au5]'
_cell_volume [221.8513]
_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  1  0.9865  0.0515  0.9980  1
  In  In1  1  0.2111  0.8570  0.4013  1
  In  In2  1  0.4093  0.5030  0.8028  1
  In  In3  1  0.6043  0.4961  0.1997  1
  In  In4  1  0.7937  0.1216  0.5989  1
  Au  Au5  1  0.1025  0.4015  0.1984  1
  Au  Au6  1  0.2964  0.1965  0.5903  1
  Au  Au7  1  0.4888  0.9910  0.9958  1
  Au  Au8  1  0.7088  0.7920  0.4091  1
  Au  Au9  1  0.9088  0.5899  0.8055  1
]