data_[Sc1Tl1Cd2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4383]
_cell_length_b [6.4537]
_cell_length_c [8.9348]
_cell_angle_alpha [80.1916]
_cell_angle_beta [79.7993]
_cell_angle_gamma [79.3465]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ScTl(CdCl4)2]
_chemical_formula_sum '[Sc1 Tl1 Cd2 Cl8]'
_cell_volume [355.4325]
_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
[
  Sc  Sc0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  2  0.4383  0.4435  0.7279  1.0
  Cl  Cl3  2  0.1878  0.7615  0.2063  1.0
  Cl  Cl4  2  0.2476  0.2633  0.9811  1.0
  Cl  Cl5  2  0.2505  0.8237  0.7903  1.0
  Cl  Cl6  2  0.3191  0.3349  0.5010  1.0
]