data_[Cs2Y2Se1O3]
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 [P3m1]
_cell_length_a [3.6753]
_cell_length_b [3.6753]
_cell_length_c [14.5333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cs2Y2SeO3]
_chemical_formula_sum '[Cs2 Y2 Se1 O3]'
_cell_volume [170.0105]
_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  0.7353  1
  Cs  Cs1  1  0.6667  0.3333  0.2733  1
  Y  Y2  1  0.3333  0.6667  0.5072  1
  Y  Y3  1  0.3333  0.6667  0.9688  1
  Se  Se4  1  0.0000  0.0000  0.0944  1
  O  O5  1  0.0000  0.0000  0.4358  1
  O  O6  1  0.6667  0.3333  0.5864  1
  O  O7  1  0.6667  0.3333  0.8988  1
]