data_[Cs6H2Se4O16]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1341]
_cell_length_b [6.5278]
_cell_length_c [8.6716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs3H(SeO4)2]
_chemical_formula_sum '[Cs6 H2 Se4 O16]'
_cell_volume [584.4935]
_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  0.0008  0.0000  0.0045  1.0
  Cs  Cs1  2  0.1974  0.0000  0.6076  1.0
  Cs  Cs2  2  0.3017  0.5000  0.3886  1.0
  H  H3  2  0.0195  0.5000  0.9975  1.0
  Se  Se4  2  0.0711  0.5000  0.7620  1.0
  Se  Se5  2  0.4273  0.0000  0.2317  1.0
  O  O6  4  0.0140  0.2886  0.3106  1.0
  O  O7  4  0.4854  0.2121  0.6928  1.0
  O  O8  2  0.1100  0.5000  0.9796  1.0
  O  O9  2  0.2131  0.5000  0.7422  1.0
  O  O10  2  0.2882  0.0000  0.2619  1.0
  O  O11  2  0.3971  0.0000  0.0226  1.0
]