data_[Li3Hf3Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6337]
_cell_length_b [6.6337]
_cell_length_c [4.7703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [LiHfPb]
_chemical_formula_sum '[Li3 Hf3 Pb3]'
_cell_volume [181.7996]
_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  3  0.0000  0.2219  0.5000  1.0
  Hf  Hf1  3  0.0000  0.5165  0.0000  1.0
  Pb  Pb2  2  0.3333  0.6667  0.5000  1.0
  Pb  Pb3  1  0.0000  0.0000  0.0000  1.0
]