data_[Ac8Sn16Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.6911]
_cell_length_b [17.0915]
_cell_length_c [9.0690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac2Sn4Hg3]
_chemical_formula_sum '[Ac8 Sn16 Hg12]'
_cell_volume [1037.1413]
_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  0.0000  0.1189  0.4247  1
  Sn  Sn1  8  0.0000  0.1831  0.0474  1
  Sn  Sn2  8  0.2500  0.0462  0.7500  1
  Hg  Hg3  8  0.2500  0.2167  0.7500  1
  Hg  Hg4  4  0.0000  0.0000  0.0000  1
]