data_[Ce4Mn4Pb4]
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 [P6_3/mmc]
_cell_length_a [4.8447]
_cell_length_b [4.8447]
_cell_length_c [13.5456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [CeMnPb]
_chemical_formula_sum '[Ce4 Mn4 Pb4]'
_cell_volume [275.3400]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Ce  Ce1  2  0.0000  0.0000  0.2500  1
  Mn  Mn2  4  0.3333  0.6667  0.1747  1
  Pb  Pb3  4  0.3333  0.6667  0.8852  1
]