data_[Ce8Tl2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [5.6312]
_cell_length_b [5.6215]
_cell_length_c [10.4333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4TlPb]
_chemical_formula_sum '[Ce8 Tl2 Pb2]'
_cell_volume [328.5929]
_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
[
  Ce  Ce0  4  0.0335  0.0000  0.6805  1.0
  Ce  Ce1  4  0.0355  0.5000  0.1822  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  2  0.0000  0.5000  0.5000  1.0
]