data_[Ac8Pu4Hg4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3326]
_cell_length_b [18.2673]
_cell_length_c [12.9042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2PuHgSe5]
_chemical_formula_sum '[Ac8 Pu4 Hg4 Se20]'
_cell_volume [1021.2973]
_cell_formula_units_Z [4]
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  0.0000  0.1204  0.6866  1
  Ac  Ac1  4  0.0000  0.1306  0.3090  1
  Pu  Pu2  4  0.0000  0.1962  0.0065  1
  Hg  Hg3  4  0.0000  0.4542  0.4615  1
  Se  Se4  4  0.0000  0.0426  0.0803  1
  Se  Se5  4  0.0000  0.2934  0.6625  1
  Se  Se6  4  0.0000  0.3068  0.3471  1
  Se  Se7  4  0.0000  0.3574  0.0012  1
  Se  Se8  4  0.0000  0.4977  0.7693  1
]