data_[Y24Sn9Ge3Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7047]
_cell_length_b [8.7047]
_cell_length_c [21.6361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y8Sn3GeTe4]
_chemical_formula_sum '[Y24 Sn9 Ge3 Te12]'
_cell_volume [1419.7512]
_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  0.0102  0.5051  0.2435  1.0
  Y  Y1  6  0.0000  0.0000  0.2464  1.0
  Sn  Sn2  9  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  3  -0.0000  -0.0000  0.5000  1.0
  Te  Te4  9  0.0000  0.5000  0.0000  1.0
  Te  Te5  3  0.0000  0.0000  0.0000  1.0
]