data_[La12Tl4Pb4]
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/m]
_cell_length_a [12.1197]
_cell_length_b [5.3820]
_cell_length_c [10.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3TlPb]
_chemical_formula_sum '[La12 Tl4 Pb4]'
_cell_volume [689.5431]
_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  4  0.0928  0.5000  0.8524  1
  La  La1  4  0.1040  0.0000  0.1696  1
  La  La2  4  0.1405  0.0000  0.5674  1
  Tl  Tl3  4  0.0832  0.5000  0.3917  1
  Pb  Pb4  4  0.2435  0.0000  0.8684  1
]