data_[Sc8Tl4Sn4]
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
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.0213]
_cell_length_b [6.0219]
_cell_length_c [11.2269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sc2TlSn]
_chemical_formula_sum '[Sc8 Tl4 Sn4]'
_cell_volume [393.6061]
_cell_formula_units_Z [4]
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  4  0.1933  0.3751  0.1305  1.0
  Sc  Sc1  4  0.3216  0.1265  0.8712  1.0
  Tl  Tl2  4  0.1655  0.1247  0.6013  1.0
  Sn  Sn3  4  0.3232  0.3717  0.4036  1.0
]