data_[Ac3Sm6Mg3Hg12]
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
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2098]
_cell_length_b [5.2098]
_cell_length_c [28.5273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [AcSm2MgHg4]
_chemical_formula_sum '[Ac3 Sm6 Mg3 Hg12]'
_cell_volume [670.5474]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Sm  Sm1  6  0.0000  0.0000  0.2377  1
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg3  6  0.0000  0.0000  0.1273  1
  Hg  Hg4  6  0.0000  0.0000  0.3875  1
]