data_[Cs2H6O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4021]
_cell_length_b [4.4879]
_cell_length_c [8.1721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CsH3O2]
_chemical_formula_sum '[Cs2 H6 O4]'
_cell_volume [161.4480]
_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  2  0.0000  0.0000  0.9755  1
  H  H1  4  0.5000  0.1897  0.2631  1
  H  H2  2  0.5000  0.0000  0.5618  1
  O  O3  2  0.5000  0.0000  0.3353  1
  O  O4  2  0.5000  0.0000  0.6822  1
]