data_[Nd9Y3Tl9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  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 [9.0152]
_cell_length_b [9.0152]
_cell_length_c [24.4709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd3YTl3Te8]
_chemical_formula_sum '[Nd9 Y3 Tl9 Te24]'
_cell_volume [1722.3686]
_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
[
  Nd  Nd0  9  0.0000  0.5000  0.0000  1.0
  Y  Y1  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  9  0.0000  0.5000  0.5000  1.0
  Te  Te3  18  0.0063  0.5032  0.7395  1.0
  Te  Te4  6  0.0000  0.0000  0.2587  1.0
]