data_[La3Ce6Er3Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3349]
_cell_length_b [5.3349]
_cell_length_c [30.8788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LaCe2ErPb4]
_chemical_formula_sum '[La3 Ce6 Er3 Pb12]'
_cell_volume [761.0966]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  6  0.0000  0.0000  0.2448  1.0
  Er  Er2  3  -0.0000  -0.0000  0.5000  1.0
  Pb  Pb3  6  0.0000  0.0000  0.1273  1.0
  Pb  Pb4  6  0.0000  0.0000  0.3785  1.0
]