data_[Cs4H4C8O16]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.5634]
_cell_length_b [6.5021]
_cell_length_c [6.4897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsH(CO2)2]
_chemical_formula_sum '[Cs4 H4 C8 O16]'
_cell_volume [443.3365]
_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  0.2952  0.0043  0.0081  1
  H  H1  4  0.1918  0.5589  0.9456  1
  C  C2  4  0.0013  0.5861  0.9183  1
  C  C3  4  0.4423  0.0379  0.5558  1
  O  O4  4  0.0967  0.1695  0.6580  1
  O  O5  4  0.1147  0.6363  0.8685  1
  O  O6  4  0.3340  0.5338  0.9837  1
  O  O7  4  0.4630  0.1619  0.7041  1
]