data_[Tm12Sc20Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.7524]
_cell_length_b [21.1920]
_cell_length_c [6.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tm3Sc5Tl2]
_chemical_formula_sum '[Tm12 Sc20 Tl8]'
_cell_volume [1055.4009]
_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
[
  Tm  Tm0  8  0.1610  0.3729  0.5000  1
  Tm  Tm1  4  0.0000  0.0000  0.2500  1
  Sc  Sc2  8  0.0000  0.1667  0.2500  1
  Sc  Sc3  8  0.1817  0.2737  0.0000  1
  Sc  Sc4  4  0.0000  0.5000  0.2500  1
  Tl  Tl5  8  0.2357  0.4152  0.0000  1
]