data_[Tm16Sc24Tl8]
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 [Fmmm]
_cell_length_a [6.6012]
_cell_length_b [10.5248]
_cell_length_c [18.1191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm2Sc3Tl]
_chemical_formula_sum '[Tm16 Sc24 Tl8]'
_cell_volume [1258.8611]
_cell_formula_units_Z [8]
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  0.2432  0.0000  0.0000  1.0
  Tm  Tm1  8  0.2500  0.2500  0.2500  1.0
  Sc  Sc2  16  0.0000  0.2375  0.4161  1.0
  Sc  Sc3  8  0.0000  0.0000  0.1652  1.0
  Tl  Tl4  8  0.0000  0.0000  0.3286  1.0
]