data_[Cs1Ga1Se2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  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 [5.0370]
_cell_length_b [5.1869]
_cell_length_c [9.2224]
_cell_angle_alpha [74.0040]
_cell_angle_beta [77.2567]
_cell_angle_gamma [63.3746]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsGa(SeO4)2]
_chemical_formula_sum '[Cs1 Ga1 Se2 O8]'
_cell_volume [205.7325]
_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  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  1  0.5000  0.5000  0.5000  1.0
  Se  Se2  2  0.1833  0.2196  0.3215  1.0
  O  O3  2  0.1925  0.5925  0.6805  1.0
  O  O4  2  0.2478  0.8587  0.3584  1.0
  O  O5  2  0.2916  0.2834  0.4620  1.0
  O  O6  2  0.3346  0.3092  0.1490  1.0
]