data_[Sc1Tl1Sn2Cl8]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3193]
_cell_length_b [6.9048]
_cell_length_c [8.8247]
_cell_angle_alpha [95.1584]
_cell_angle_beta [90.8574]
_cell_angle_gamma [92.8753]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ScTl(SnCl4)2]
_chemical_formula_sum '[Sc1 Tl1 Sn2 Cl8]'
_cell_volume [382.9360]
_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
  Sn  Sn2  2  0.4916  0.5320  0.7573  1.0
  Cl  Cl3  2  0.2115  0.1705  0.8135  1.0
  Cl  Cl4  2  0.2164  0.6997  0.9569  1.0
  Cl  Cl5  2  0.2596  0.1247  0.2145  1.0
  Cl  Cl6  2  0.2754  0.6302  0.5319  1.0
]