data_[Ac4In2Hg20]
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 [Pbam]
_cell_length_a [11.2186]
_cell_length_b [13.2076]
_cell_length_c [5.8817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ac2InHg10]
_chemical_formula_sum '[Ac4 In2 Hg20]'
_cell_volume [871.4920]
_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  4  0.1255  0.6642  0.5000  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.0982  0.1880  0.2571  1
  Hg  Hg3  4  0.0279  0.3865  0.0000  1
  Hg  Hg4  4  0.1787  0.8081  0.0000  1
  Hg  Hg5  4  0.2313  0.5284  0.0000  1
]