data_[Cs4Zn4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7844]
_cell_length_b [7.6871]
_cell_length_c [6.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsZnAu4]
_chemical_formula_sum '[Cs4 Zn4 Au16]'
_cell_volume [618.2084]
_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  0.2037  0.0000  0.8880  1.0
  Zn  Zn1  4  0.0003  0.5000  0.6864  1.0
  Au  Au2  8  0.0901  0.1817  0.3733  1.0
  Au  Au3  4  0.0000  0.3062  0.0000  1.0
  Au  Au4  4  0.2009  0.5000  0.5678  1.0
]