data_[Li2Th6Pb8]
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 [Pmn2_1]
_cell_length_a [11.2701]
_cell_length_b [6.2183]
_cell_length_c [6.7350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiTh3Pb4]
_chemical_formula_sum '[Li2 Th6 Pb8]'
_cell_volume [471.9964]
_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  2  0.0000  0.7687  0.8256  1
  Th  Th1  4  0.2371  0.4931  0.1189  1
  Th  Th2  2  0.0000  0.0504  0.3178  1
  Pb  Pb3  4  0.2162  0.9873  0.9423  1
  Pb  Pb4  2  0.0000  0.3054  0.8225  1
  Pb  Pb5  2  0.0000  0.5584  0.3966  1
]