data_[Ac4Hg4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3830]
_cell_length_b [13.3919]
_cell_length_c [5.6666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AcHgO3]
_chemical_formula_sum '[Ac4 Hg4 O12]'
_cell_volume [332.6066]
_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  4  0.0000  0.3715  0.8346  1
  Hg  Hg1  4  0.0000  0.1090  0.8313  1
  O  O2  4  0.0000  0.0635  0.1856  1
  O  O3  4  0.0000  0.2156  0.5589  1
  O  O4  4  0.0000  0.4176  0.3116  1
]