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-3]
_cell_length_a [5.0742]
_cell_length_b [5.0742]
_cell_length_c [9.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsGa(SeO4)2]
_chemical_formula_sum '[Cs1 Ga1 Se2 O8]'
_cell_volume [206.7439]
_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  0.0000  0.0000  0.5000  1.0
  Se  Se2  2  0.3333  0.6667  0.3142  1.0
  O  O3  6  0.0389  0.7065  0.3708  1.0
  O  O4  2  0.3333  0.6667  0.1366  1.0
]