data_[Ce6Mn4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8200]
_cell_length_b [4.8181]
_cell_length_c [4.9027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Mn2Pb3]
_chemical_formula_sum '[Ce6 Mn4 Pb6]'
_cell_volume [396.3860]
_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  0.1797  0.0000  0.5525  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.2077  0.0000  0.1419  1.0
  Pb  Pb3  4  0.1381  0.5000  0.0266  1.0
  Pb  Pb4  2  0.0000  0.5000  0.5000  1.0
]