data_[Ac2Hg1Pb3]
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 [Pmm2]
_cell_length_a [3.8645]
_cell_length_b [5.4622]
_cell_length_c [9.4858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ac2HgPb3]
_chemical_formula_sum '[Ac2 Hg1 Pb3]'
_cell_volume [200.2294]
_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  1  0.0000  0.0000  0.4928  1
  Ac  Ac1  1  0.0000  0.5000  0.0076  1
  Hg  Hg2  1  0.5000  0.5000  0.3327  1
  Pb  Pb3  1  0.5000  0.0000  0.1729  1
  Pb  Pb4  1  0.5000  0.0000  0.8335  1
  Pb  Pb5  1  0.5000  0.5000  0.6605  1
]