data_[Cs4H4O4]
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 [P2_1/c]
_cell_length_a [6.2376]
_cell_length_b [4.5073]
_cell_length_c [8.8644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsHO]
_chemical_formula_sum '[Cs4 H4 O4]'
_cell_volume [233.1130]
_cell_formula_units_Z [4]
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  0.2783  0.7492  0.0698  1.0
  H  H1  4  0.0733  0.1299  0.7680  1.0
  O  O2  4  0.1956  0.2205  0.2999  1.0
]