data_[Ce6Sb1Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9708]
_cell_length_b [5.9948]
_cell_length_c [6.2535]
_cell_angle_alpha [86.7745]
_cell_angle_beta [87.1231]
_cell_angle_gamma [79.9853]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce6SbPb]
_chemical_formula_sum '[Ce6 Sb1 Pb1]'
_cell_volume [219.8910]
_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  2  0.0445  0.4579  0.2520  1
  Ce  Ce1  2  0.2163  0.0480  0.4883  1
  Ce  Ce2  2  0.4502  0.2907  0.0153  1
  Sb  Sb3  1  0.5000  0.5000  0.5000  1
  Pb  Pb4  1  0.0000  0.0000  0.0000  1
]