data_[Ac4Hg2P2Pd12]
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
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4933]
_cell_length_b [5.6861]
_cell_length_c [8.4451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2HgPPd6]
_chemical_formula_sum '[Ac4 Hg2 P2 Pd12]'
_cell_volume [436.3527]
_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  4  0.2367  0.5000  0.7144  1
  Hg  Hg1  2  0.0000  0.0000  0.5000  1
  P  P2  2  0.0000  0.5000  0.0000  1
  Pd  Pd3  8  0.0025  0.2493  0.7807  1
  Pd  Pd4  4  0.2472  0.5000  0.1060  1
]