data_[Cs5Ag1Se1O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9664]
_cell_length_b [5.9664]
_cell_length_c [9.9221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cs5AgSeO2]
_chemical_formula_sum '[Cs5 Ag1 Se1 O2]'
_cell_volume [353.2107]
_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  4  0.0000  0.5000  0.2456  1.0
  Cs  Cs1  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  1  0.5000  0.5000  0.5000  1.0
  O  O4  2  0.0000  0.0000  0.2062  1.0
]