data_[Sm18Ge12Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [8.0180]
_cell_length_b [8.0180]
_cell_length_c [18.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Sm3Ge2Pb]
_chemical_formula_sum '[Sm18 Ge12 Pb6]'
_cell_volume [1054.3084]
_cell_formula_units_Z [6]
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
[
  Sm  Sm0  18  0.0000  0.3122  0.2500  1
  Ge  Ge1  12  0.0000  0.0000  0.3388  1
  Pb  Pb2  6  0.0000  0.0000  0.0000  1
]