data_[Cs16H2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2615]
_cell_length_b [9.4581]
_cell_length_c [9.4192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8HAu2]
_chemical_formula_sum '[Cs16 H2 Au4]'
_cell_volume [1537.6233]
_cell_formula_units_Z [2]
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  0.0333  0.2315  0.7574  1
  Cs  Cs1  4  0.1842  0.0000  0.1190  1
  Cs  Cs2  4  0.2147  0.5000  0.4001  1
  H  H3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0844  0.0000  0.4648  1
]