data_[Cd4H4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3468]
_cell_length_b [4.2511]
_cell_length_c [5.4279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdHAu]
_chemical_formula_sum '[Cd4 H4 Au4]'
_cell_volume [210.6234]
_cell_formula_units_Z [4]
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  0.1907  0.0000  0.5462  1
  Cd  Cd1  2  0.3929  0.5000  0.9032  1
  H  H2  2  0.2625  0.5000  0.1447  1
  H  H3  2  0.4302  0.0000  0.3036  1
  Au  Au4  2  0.0013  0.5000  0.6542  1
  Au  Au5  2  0.0881  0.5000  0.1845  1
]