data_[Cs1Na1H4Se1O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  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 [P1]
_cell_length_a [4.7120]
_cell_length_b [6.2923]
_cell_length_c [7.1563]
_cell_angle_alpha [65.1749]
_cell_angle_beta [78.5012]
_cell_angle_gamma [89.6708]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsNaH4SeO5]
_chemical_formula_sum '[Cs1 Na1 H4 Se1 O5]'
_cell_volume [187.9816]
_cell_formula_units_Z [1]
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  1  0.0700  0.0347  0.9688  1.0
  Na  Na1  1  0.3871  0.3316  0.3424  1.0
  H  H2  1  0.4215  0.5273  0.9079  1.0
  H  H3  1  0.7658  0.5306  0.9042  1.0
  H  H4  1  0.8006  0.3526  0.5581  1.0
  H  H5  1  0.8052  0.1056  0.5533  1.0
  Se  Se6  1  0.2494  0.7474  0.5236  1.0
  O  O7  1  0.0799  0.0039  0.4322  1.0
  O  O8  1  0.0821  0.5726  0.4379  1.0
  O  O9  1  0.1219  0.6239  0.7949  1.0
  O  O10  1  0.5694  0.4545  0.9933  1.0
  O  O11  1  0.6709  0.2063  0.6016  1.0
]