data_[Cd6Ga1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1715]
_cell_length_b [5.8881]
_cell_length_c [6.7270]
_cell_angle_alpha [107.4520]
_cell_angle_beta [107.1633]
_cell_angle_gamma [103.6108]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd6GaAu]
_chemical_formula_sum '[Cd6 Ga1 Au1]'
_cell_volume [174.5280]
_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  0.1278  0.6238  0.2451  1
  Cd  Cd1  2  0.2446  0.2244  0.5058  1
  Cd  Cd2  2  0.3709  0.8360  0.7576  1
  Ga  Ga3  1  0.0000  0.0000  0.0000  1
  Au  Au4  1  0.5000  0.5000  0.0000  1
]