data_[Ac2In12Hg12]
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 [Immm]
_cell_length_a [6.1619]
_cell_length_b [9.8771]
_cell_length_c [11.7628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac(InHg)6]
_chemical_formula_sum '[Ac2 In12 Hg12]'
_cell_volume [715.8953]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  8  0.2500  0.2500  0.2500  1
  In  In2  4  0.0000  0.2548  0.5000  1
  Hg  Hg3  4  0.0000  0.0000  0.3481  1
  Hg  Hg4  4  0.0000  0.3507  0.0000  1
  Hg  Hg5  4  0.0000  0.5000  0.3374  1
]