data_[Ac2Sm12Hg7]
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 [P-6]
_cell_length_a [14.1928]
_cell_length_b [14.1928]
_cell_length_c [3.7602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Ac2Sm12Hg7]
_chemical_formula_sum '[Ac2 Sm12 Hg7]'
_cell_volume [655.9567]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ac  Ac1  1  0.3333  0.6667  0.0000  1
  Sm  Sm2  3  0.0355  0.7680  0.0000  1
  Sm  Sm3  3  0.0899  0.3881  0.5000  1
  Sm  Sm4  3  0.4400  0.2107  0.5000  1
  Sm  Sm5  3  0.5233  0.4550  0.0000  1
  Hg  Hg6  3  0.1254  0.6481  0.5000  1
  Hg  Hg7  3  0.2223  0.0377  0.0000  1
  Hg  Hg8  1  0.6667  0.3333  0.0000  1
]