data_[Ac8In12Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.8497]
_cell_length_b [13.7529]
_cell_length_c [6.8799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ac2In3Hg5]
_chemical_formula_sum '[Ac8 In12 Hg20]'
_cell_volume [1121.2073]
_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  8  0.2345  0.3724  0.0000  1
  In  In1  8  0.1199  0.3660  0.5000  1
  In  In2  4  0.0000  0.0000  0.2500  1
  Hg  Hg3  8  0.0000  0.2317  0.2500  1
  Hg  Hg4  8  0.1495  0.1141  0.0000  1
  Hg  Hg5  4  0.0000  0.5000  0.2500  1
]