data_[Tb9Tm6Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3986]
_cell_length_b [5.3986]
_cell_length_c [23.9789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3(TmTl)2]
_chemical_formula_sum '[Tb9 Tm6 Tl6]'
_cell_volume [605.2367]
_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  6  0.0000  0.0000  0.3449  1.0
  Tb  Tb1  3  -0.0000  -0.0000  0.5000  1.0
  Tm  Tm2  6  0.0000  0.0000  0.0736  1.0
  Tl  Tl3  6  0.0000  0.0000  0.2154  1.0
]