data_[Cs12P8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3984]
_cell_length_b [10.8650]
_cell_length_c [9.4821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3P2Au]
_chemical_formula_sum '[Cs12 P8 Au4]'
_cell_volume [864.8867]
_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  8  0.1593  0.0874  0.4239  1
  Cs  Cs1  4  0.0000  0.4051  0.2500  1
  P  P2  8  0.2189  0.3043  0.9030  1
  Au  Au3  4  0.0000  0.2503  0.7500  1
]