data_[Tb3Nd9Te18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9172]
_cell_length_b [7.9172]
_cell_length_c [21.5040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tb(NdTe2)3]
_chemical_formula_sum '[Tb3 Nd9 Te18]'
_cell_volume [1167.3170]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.1567  1.0
  Nd  Nd1  3  0.0000  0.0000  0.3471  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6548  1.0
  Nd  Nd3  3  0.0000  0.0000  0.8455  1.0
  Te  Te4  9  0.0032  0.6961  0.2487  1.0
  Te  Te5  9  0.0117  0.3183  0.7499  1.0
]