data_[Li2Sc2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8663]
_cell_length_b [4.8663]
_cell_length_c [6.5241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiScPb]
_chemical_formula_sum '[Li2 Sc2 Pb2]'
_cell_volume [133.7957]
_cell_formula_units_Z [2]
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  1  0.0000  0.0000  0.0555  1.0
  Li  Li1  1  0.6667  0.3333  0.2094  1.0
  Sc  Sc2  1  0.3333  0.6667  0.4194  1.0
  Sc  Sc3  1  0.6667  0.3333  0.7389  1.0
  Pb  Pb4  1  0.0000  0.0000  0.5084  1.0
  Pb  Pb5  1  0.3333  0.6667  0.9511  1.0
]