data_[Tm12Sc6Tl2]
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 [P2_1/m]
_cell_length_a [12.3042]
_cell_length_b [3.4447]
_cell_length_c [13.9485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6Sc3Tl]
_chemical_formula_sum '[Tm12 Sc6 Tl2]'
_cell_volume [559.6761]
_cell_formula_units_Z [2]
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  2  0.1130  0.2500  0.7063  1.0
  Tm  Tm1  2  0.1541  0.7500  0.2813  1.0
  Tm  Tm2  2  0.2447  0.2500  0.1029  1.0
  Tm  Tm3  2  0.2808  0.7500  0.9001  1.0
  Tm  Tm4  2  0.3547  0.7500  0.6956  1.0
  Tm  Tm5  2  0.3559  0.2500  0.4767  1.0
  Sc  Sc6  2  0.0324  0.7500  0.9128  1.0
  Sc  Sc7  2  0.1223  0.7500  0.5050  1.0
  Sc  Sc8  2  0.4908  0.7500  0.0977  1.0
  Tl  Tl9  2  0.4216  0.7500  0.3006  1.0
]