data_[Ac4Sm2Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.0979]
_cell_length_b [13.3574]
_cell_length_c [5.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ac2SmHg10]
_chemical_formula_sum '[Ac4 Sm2 Hg20]'
_cell_volume [873.1950]
_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  0.1266  0.6716  0.5000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.0962  0.1906  0.2566  1
  Hg  Hg3  4  0.0317  0.3861  0.0000  1
  Hg  Hg4  4  0.1888  0.8180  0.0000  1
  Hg  Hg5  4  0.2252  0.5399  0.0000  1
]