data_[Li3Sm3Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.8145]
_cell_length_b [4.8145]
_cell_length_c [11.2696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LiSmPb]
_chemical_formula_sum '[Li3 Sm3 Pb3]'
_cell_volume [226.2239]
_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
[
  Li  Li0  2  0.3333  0.6667  0.3110  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Sm  Sm2  2  0.6667  0.3333  0.1643  1
  Sm  Sm3  1  0.6667  0.3333  0.5000  1
  Pb  Pb4  2  0.0000  0.0000  0.3279  1
  Pb  Pb5  1  0.3333  0.6667  0.0000  1
]