data_[Sc32Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.8438]
_cell_length_b [15.2352]
_cell_length_c [5.7925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Sc4Tl]
_chemical_formula_sum '[Sc32 Tl8]'
_cell_volume [956.9647]
_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
[
  Sc  Sc0  16  0.0243  0.2982  0.2852  1.0
  Sc  Sc1  16  0.0459  0.4016  0.7645  1.0
  Tl  Tl2  8  0.0000  0.0000  0.7486  1.0
]