data_[Cs10H2Au4]
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 [I4mm]
_cell_length_a [8.8653]
_cell_length_b [8.8653]
_cell_length_c [10.4182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs5HAu2]
_chemical_formula_sum '[Cs10 H2 Au4]'
_cell_volume [818.8062]
_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  0.2340  0.2340  0.0102  1
  Cs  Cs1  2  0.0000  0.0000  0.7389  1
  H  H2  2  0.0000  0.0000  0.0040  1
  Au  Au3  4  0.0000  0.5000  0.2472  1
]