data_[Tl8Sb4Pb8]
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 [12.0497]
_cell_length_b [5.5136]
_cell_length_c [9.8781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2SbPb2]
_chemical_formula_sum '[Tl8 Sb4 Pb8]'
_cell_volume [639.1416]
_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
[
  Tl  Tl0  4  0.0355  0.0000  0.3423  1.0
  Tl  Tl1  4  0.1574  0.0000  0.0447  1.0
  Sb  Sb2  4  0.2289  0.5000  0.2842  1.0
  Pb  Pb3  4  0.0295  0.5000  0.8507  1.0
  Pb  Pb4  4  0.1540  0.5000  0.5733  1.0
]