data_[Cs2P2H4S2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8332]
_cell_length_b [6.5487]
_cell_length_c [6.5276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsPH2SO3]
_chemical_formula_sum '[Cs2 P2 H4 S2 O6]'
_cell_volume [282.2219]
_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  0.3428  0.5000  0.6131  1.0
  P  P1  2  0.3445  0.0000  0.1132  1.0
  H  H2  4  0.0178  0.1992  0.1824  1.0
  S  S3  2  0.3899  0.0000  0.8246  1.0
  O  O4  4  0.4502  0.1906  0.2525  1.0
  O  O5  2  0.1210  0.0000  0.1213  1.0
]