data_[Cs16Au4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.0446]
_cell_length_b [23.1432]
_cell_length_c [8.7809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs4AuO]
_chemical_formula_sum '[Cs16 Au4 O4]'
_cell_volume [1228.3627]
_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  0.0000  0.0926  0.7649  1.0
  Cs  Cs1  4  0.0000  0.3095  0.4101  1.0
  Cs  Cs2  4  0.0000  0.3357  0.9425  1.0
  Cs  Cs3  4  0.0000  0.4889  0.5968  1.0
  Au  Au4  4  0.0000  0.1799  0.1481  1.0
  O  O5  4  0.0000  0.4011  0.2042  1.0
]