data_[Y24Si9Ge3Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2236]
_cell_length_b [8.2236]
_cell_length_c [20.4704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y8Si3GeSe4]
_chemical_formula_sum '[Y24 Si9 Ge3 Se12]'
_cell_volume [1198.8866]
_cell_formula_units_Z [3]
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
[
  Y  Y0  18  0.0014  0.5007  0.2543  1.0
  Y  Y1  6  0.0000  0.0000  0.2546  1.0
  Si  Si2  9  0.0000  0.5000  0.0000  1.0
  Ge  Ge3  3  0.0000  0.0000  0.0000  1.0
  Se  Se4  9  0.0000  0.5000  0.5000  1.0
  Se  Se5  3  -0.0000  -0.0000  0.5000  1.0
]