data_[Cs6Y4In2Se12]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3766]
_cell_length_b [12.7729]
_cell_length_c [8.7272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Y2InSe6]
_chemical_formula_sum '[Cs6 Y4 In2 Se12]'
_cell_volume [788.7950]
_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  4  0.0000  0.1685  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.0000  0.3336  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2249  0.1637  0.1837  1.0
  Se  Se5  4  0.2339  0.5000  0.1852  1.0
]