data_[Ac12H4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2181]
_cell_length_b [5.2181]
_cell_length_c [27.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ac6H2Pb3]
_chemical_formula_sum '[Ac12 H4 Pb6]'
_cell_volume [744.3003]
_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
[
  Ac  Ac0  8  0.0000  0.5000  0.0826  1
  Ac  Ac1  4  0.0000  0.0000  0.2992  1
  H  H2  4  0.0000  0.0000  0.3984  1
  Pb  Pb3  4  0.0000  0.0000  0.1738  1
  Pb  Pb4  2  0.0000  0.0000  0.0000  1
]