data_[Cs6H2Au2]
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 [P2_1/m]
_cell_length_a [8.0323]
_cell_length_b [8.4790]
_cell_length_c [8.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs3HAu]
_chemical_formula_sum '[Cs6 H2 Au2]'
_cell_volume [533.3451]
_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  0.3490  0.0006  0.1535  1
  Cs  Cs1  2  0.1431  0.2500  0.5680  1
  H  H2  2  0.4185  0.2500  0.9135  1
  Au  Au3  2  0.3448  0.7500  0.5135  1
]