data_[Y24In3Sb9Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7823]
_cell_length_b [8.7823]
_cell_length_c [21.5405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y8InSb3Te4]
_chemical_formula_sum '[Y24 In3 Sb9 Te12]'
_cell_volume [1438.7971]
_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  0.0037  0.5019  0.2462  1.0
  Y  Y1  6  0.0000  0.0000  0.2460  1.0
  In  In2  3  -0.0000  -0.0000  0.5000  1.0
  Sb  Sb3  9  0.0000  0.5000  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
]