data_[Cs4Pd4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2624]
_cell_length_b [4.6451]
_cell_length_c [6.7564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsPdAu]
_chemical_formula_sum '[Cs4 Pd4 Au4]'
_cell_volume [371.2097]
_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
[
  Cs  Cs0  4  0.1122  0.0000  0.2990  1.0
  Pd  Pd1  4  0.2058  0.0000  0.9038  1.0
  Au  Au2  4  0.0943  0.5000  0.7001  1.0
]