data_[Y9Sc3Tl9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7140]
_cell_length_b [8.7140]
_cell_length_c [24.6270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y3ScTl3Te8]
_chemical_formula_sum '[Y9 Sc3 Tl9 Te24]'
_cell_volume [1619.4801]
_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  9  0.0000  0.5000  0.5000  1
  Sc  Sc1  3  0.0000  0.0000  0.5000  1
  Tl  Tl2  9  0.0000  0.5000  0.0000  1
  Te  Te3  18  0.0113  0.5056  0.2365  1
  Te  Te4  6  0.0000  0.0000  0.2390  1
]