data_[Ac2Hg3Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.9209]
_cell_length_b [4.9548]
_cell_length_c [10.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ac2(HgPb)3]
_chemical_formula_sum '[Ac2 Hg3 Pb3]'
_cell_volume [244.2556]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2508  1
  Hg  Hg1  1  0.0000  0.5000  0.0000  1
  Hg  Hg2  1  0.0000  0.5000  0.5000  1
  Hg  Hg3  1  0.5000  0.0000  0.5000  1
  Pb  Pb4  2  0.5000  0.5000  0.2561  1
  Pb  Pb5  1  0.5000  0.0000  0.0000  1
]