data_[Sc22Tl8Cd18]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.8406]
_cell_length_b [21.3465]
_cell_length_c [3.4576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc11Tl4Cd9]
_chemical_formula_sum '[Sc22 Tl8 Cd18]'
_cell_volume [1095.3602]
_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
[
  Sc  Sc0  8  0.2321  0.1750  0.0000  1
  Sc  Sc1  4  0.0000  0.1758  0.0000  1
  Sc  Sc2  4  0.0000  0.3566  0.0000  1
  Sc  Sc3  4  0.2331  0.0000  0.0000  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
  Tl  Tl5  8  0.1535  0.4112  0.5000  1
  Cd  Cd6  8  0.1121  0.0876  0.5000  1
  Cd  Cd7  8  0.1146  0.2632  0.5000  1
  Cd  Cd8  2  0.0000  0.5000  0.5000  1
]