data_[Ac2Al1Zn1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8807]
_cell_length_b [7.2592]
_cell_length_c [7.3645]
_cell_angle_alpha [81.6962]
_cell_angle_beta [67.7875]
_cell_angle_gamma [68.5283]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac2AlZnHg6]
_chemical_formula_sum '[Ac2 Al1 Zn1 Hg6]'
_cell_volume [270.8484]
_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  0.4957  0.2516  0.7619  1
  Al  Al1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  1  0.0000  0.5000  0.5000  1
  Hg  Hg3  2  0.0037  0.6919  0.8015  1
  Hg  Hg4  2  0.1407  0.0946  0.5965  1
  Hg  Hg5  2  0.4970  0.2769  0.2249  1
]