data_[Ac8Hg2Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7571]
_cell_length_b [7.8863]
_cell_length_c [8.4444]
_cell_angle_alpha [105.1169]
_cell_angle_beta [106.0352]
_cell_angle_gamma [95.1170]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ac4HgRu2]
_chemical_formula_sum '[Ac8 Hg2 Ru4]'
_cell_volume [472.0143]
_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  1  0.1129  0.4679  0.4044  1
  Ac  Ac1  1  0.1149  0.4721  0.8916  1
  Ac  Ac2  1  0.1479  0.9099  0.2628  1
  Ac  Ac3  1  0.1537  0.9453  0.7702  1
  Ac  Ac4  1  0.5637  0.3370  0.2104  1
  Ac  Ac5  1  0.5667  0.3430  0.7392  1
  Ac  Ac6  1  0.6103  0.8063  0.6023  1
  Ac  Ac7  1  0.6161  0.8004  0.1099  1
  Hg  Hg8  1  0.8522  0.1418  0.4976  1
  Hg  Hg9  1  0.8996  0.1479  0.0168  1
  Ru  Ru10  1  0.3527  0.6538  0.7501  1
  Ru  Ru11  1  0.3565  0.6315  0.2529  1
  Ru  Ru12  1  0.5204  0.0576  0.8896  1
  Ru  Ru13  1  0.8826  0.5356  0.1023  1
]