data_[Ac4Sc2Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7829]
_cell_length_b [5.0139]
_cell_length_c [7.3802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2ScHg4]
_chemical_formula_sum '[Ac4 Sc2 Hg8]'
_cell_volume [408.4964]
_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  0.1576  0.0000  0.7441  1
  Sc  Sc1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  4  0.1002  0.5000  0.4196  1
  Hg  Hg3  4  0.1340  0.0000  0.1941  1
]