data_[Th16Ir4Pb4]
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 [Cmcm]
_cell_length_a [5.5841]
_cell_length_b [20.6168]
_cell_length_c [6.4842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Th4IrPb]
_chemical_formula_sum '[Th16 Ir4 Pb4]'
_cell_volume [746.4977]
_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
[
  Th  Th0  8  0.0000  0.2954  0.5016  1
  Th  Th1  4  0.0000  0.0978  0.2500  1
  Th  Th2  4  0.0000  0.4489  0.2500  1
  Ir  Ir3  4  0.0000  0.4180  0.7500  1
  Pb  Pb4  4  0.0000  0.1462  0.7500  1
]