data_[Cs1Al1Se2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9667]
_cell_length_b [5.1206]
_cell_length_c [9.2661]
_cell_angle_alpha [74.2337]
_cell_angle_beta [77.6518]
_cell_angle_gamma [62.9780]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAl(SeO4)2]
_chemical_formula_sum '[Cs1 Al1 Se2 O8]'
_cell_volume [200.9093]
_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  0.5000  0.5000  0.5000  1.0
  Al  Al1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.3173  0.2810  0.1751  1.0
  O  O3  2  0.1723  0.1981  0.3492  1.0
  O  O4  2  0.1960  0.2069  0.0432  1.0
  O  O5  2  0.2483  0.6468  0.1326  1.0
  O  O6  2  0.3014  0.9101  0.8280  1.0
]