data_[La12Tl4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.8228]
_cell_length_b [6.7517]
_cell_length_c [6.5408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3TlPb2]
_chemical_formula_sum '[La12 Tl4 Pb8]'
_cell_volume [769.2576]
_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
[
  La  La0  8  0.1707  0.1179  0.6023  1.0
  La  La1  4  0.0000  0.3681  0.2500  1.0
  Tl  Tl2  4  0.0000  0.1263  0.7500  1.0
  Pb  Pb3  8  0.1606  0.3888  0.0650  1.0
]