data_[Li12Th4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3902]
_cell_length_b [4.6415]
_cell_length_c [7.2692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3ThPb2]
_chemical_formula_sum '[Li12 Th4 Pb8]'
_cell_volume [544.4419]
_cell_formula_units_Z [4]
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  4  0.0698  0.0000  0.6551  1
  Li  Li1  4  0.1493  0.5000  0.5083  1
  Li  Li2  4  0.1888  0.5000  0.8942  1
  Th  Th3  4  0.1210  0.0000  0.1599  1
  Pb  Pb4  4  0.0118  0.5000  0.7902  1
  Pb  Pb5  4  0.2318  0.0000  0.6970  1
]