data_[Cs12H2Au4]
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 [18.0298]
_cell_length_b [4.9227]
_cell_length_c [14.7059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6HAu2]
_chemical_formula_sum '[Cs12 H2 Au4]'
_cell_volume [1167.6775]
_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  4  0.0019  0.0000  0.2101  1.0
  Cs  Cs1  4  0.1587  0.5000  0.5490  1.0
  Cs  Cs2  4  0.1827  0.0000  0.1146  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.1762  0.5000  0.3059  1.0
]