data_[Cs5Cd1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4263]
_cell_length_b [4.4263]
_cell_length_c [22.6458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cs5CdAu4]
_chemical_formula_sum '[Cs5 Cd1 Au4]'
_cell_volume [443.6744]
_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
[
  Cs  Cs0  2  0.5000  0.5000  0.1184  1.0
  Cs  Cs1  2  0.5000  0.5000  0.3079  1.0
  Cs  Cs2  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd3  1  0.0000  0.0000  0.0000  1.0
  Au  Au4  2  0.0000  0.0000  0.2063  1.0
  Au  Au5  2  0.0000  0.0000  0.4027  1.0
]