data_[Th12Ir2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4322]
_cell_length_b [8.2983]
_cell_length_c [12.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Th6IrPb2]
_chemical_formula_sum '[Th12 Ir2 Pb4]'
_cell_volume [567.9252]
_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
[
  Th  Th0  4  0.0828  0.6940  0.9590  1
  Th  Th1  4  0.3245  0.1741  0.9605  1
  Th  Th2  4  0.3704  0.5269  0.7471  1
  Ir  Ir3  2  0.5000  0.0000  0.5000  1
  Pb  Pb4  4  0.1456  0.6091  0.2467  1
]