data_[Ce1Te8Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.1849]
_cell_length_b [10.1849]
_cell_length_c [6.4743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ce(Te4Pb3)2]
_chemical_formula_sum '[Ce1 Te8 Pb6]'
_cell_volume [581.6217]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Te  Te1  6  0.0086  0.2646  0.7530  1
  Te  Te2  2  0.3333  0.6667  0.5083  1
  Pb  Pb3  6  0.0550  0.3927  0.3021  1
]