data_[Cs2Y2Se2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.8315]
_cell_length_b [3.8315]
_cell_length_c [15.4078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [CsYSeO]
_chemical_formula_sum '[Cs2 Y2 Se2 O2]'
_cell_volume [195.8900]
_cell_formula_units_Z [2]
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
  Cs  Cs1  1  0.3333  0.6667  0.5000  1
  Y  Y2  2  0.6667  0.3333  0.2854  1
  Se  Se3  2  0.3333  0.6667  0.1721  1
  O  O4  2  0.0000  0.0000  0.3524  1
]