data_[Tl4Bi8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6838]
_cell_length_b [4.5813]
_cell_length_c [10.8093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlBi2Pb3]
_chemical_formula_sum '[Tl4 Bi8 Pb12]'
_cell_volume [811.8059]
_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  0.1138  0.0000  0.0747  1.0
  Bi  Bi1  4  0.0005  0.5000  0.1812  1.0
  Bi  Bi2  4  0.2327  0.0000  0.8681  1.0
  Pb  Pb3  4  0.0608  0.0000  0.4041  1.0
  Pb  Pb4  4  0.1286  0.5000  0.6727  1.0
  Pb  Pb5  4  0.2004  0.5000  0.3750  1.0
]