data_[Sc12Tl10Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1341]
_cell_length_b [10.5705]
_cell_length_c [9.5832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc6Tl5Pb]
_chemical_formula_sum '[Sc12 Tl10 Pb2]'
_cell_volume [607.8561]
_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  0.2488  0.3323  0.7507  1.0
  Sc  Sc1  4  0.2474  0.5000  0.2483  1.0
  Tl  Tl2  4  0.0000  0.1658  0.5000  1.0
  Tl  Tl3  4  0.0000  0.3329  0.0000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb5  2  0.0000  0.0000  0.0000  1.0
]