data_[Tm6Sc8Tl1]
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 [P-3]
_cell_length_a [8.8834]
_cell_length_b [8.8834]
_cell_length_c [5.9677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tm6Sc8Tl]
_chemical_formula_sum '[Tm6 Sc8 Tl1]'
_cell_volume [407.8459]
_cell_formula_units_Z [1]
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  6  0.0916  0.4515  0.6907  1
  Sc  Sc1  6  0.0437  0.2669  0.1845  1
  Sc  Sc2  2  0.3333  0.6667  0.1927  1
  Tl  Tl3  1  0.0000  0.0000  0.5000  1
]