data_[Ac8Tm12Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.1229]
_cell_length_b [17.9660]
_cell_length_c [8.4095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac2Tm3Hg4]
_chemical_formula_sum '[Ac8 Tm12 Hg16]'
_cell_volume [1076.1595]
_cell_formula_units_Z [4]
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  8  0.0000  0.0990  0.4070  1
  Tm  Tm1  8  0.2500  0.2340  0.7500  1
  Tm  Tm2  4  0.0000  0.0000  0.0000  1
  Hg  Hg3  8  0.0000  0.1734  0.0275  1
  Hg  Hg4  8  0.2500  0.0633  0.7500  1
]