data_[Tb12Tm4Tl12]
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 [P2_13]
_cell_length_a [9.3359]
_cell_length_b [9.3359]
_cell_length_c [9.3359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Tb3TmTl3]
_chemical_formula_sum '[Tb12 Tm4 Tl12]'
_cell_volume [813.6998]
_cell_formula_units_Z [4]
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  4  0.0704  0.4296  0.5704  1
  Tb  Tb1  4  0.1755  0.8245  0.3245  1
  Tb  Tb2  4  0.1759  0.1759  0.1759  1
  Tm  Tm3  4  0.0748  0.5748  0.9252  1
  Tl  Tl4  12  0.0006  0.2538  0.8715  1
]