data_[Y9Hf3Tl12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1696]
_cell_length_b [8.1696]
_cell_length_c [23.8121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y3Hf(TlSe2)4]
_chemical_formula_sum '[Y9 Hf3 Tl12 Se24]'
_cell_volume [1376.3426]
_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
  Hf  Hf1  3  0.0000  0.0000  0.5000  1
  Tl  Tl2  9  0.0000  0.5000  0.0000  1
  Tl  Tl3  3  -0.0000  -0.0000  0.0000  1
  Se  Se4  18  0.0181  0.5091  0.2329  1
  Se  Se5  6  0.0000  0.0000  0.2353  1
]