data_[Tl12Sb2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5465]
_cell_length_b [16.6472]
_cell_length_c [4.2309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl6SbPb2]
_chemical_formula_sum '[Tl12 Sb2 Pb4]'
_cell_volume [583.8238]
_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
[
  Tl  Tl0  8  0.1680  0.3367  0.8302  1.0
  Tl  Tl1  4  0.1749  0.5000  0.3345  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  4  0.0000  0.1495  0.5000  1.0
]