data_[Ac2Sm6Hg12]
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 [P2_1/m]
_cell_length_a [9.5102]
_cell_length_b [5.2838]
_cell_length_c [11.6531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac(SmHg2)3]
_chemical_formula_sum '[Ac2 Sm6 Hg12]'
_cell_volume [558.3985]
_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  0.0710  0.2500  0.3811  1
  Sm  Sm1  2  0.2272  0.2500  0.9990  1
  Sm  Sm2  2  0.3531  0.7500  0.8115  1
  Sm  Sm3  2  0.4987  0.2500  0.6144  1
  Hg  Hg4  2  0.0590  0.7500  0.9131  1
  Hg  Hg5  2  0.1491  0.7500  0.2021  1
  Hg  Hg6  2  0.1855  0.2500  0.6932  1
  Hg  Hg7  2  0.2650  0.7500  0.5309  1
  Hg  Hg8  2  0.3601  0.2500  0.2800  1
  Hg  Hg9  2  0.4593  0.7500  0.0958  1
]