data_[Ac12Zn2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1513]
_cell_length_b [5.6135]
_cell_length_c [12.8161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6ZnHg3]
_chemical_formula_sum '[Ac12 Zn2 Hg6]'
_cell_volume [698.8549]
_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  2  0.1185  0.7500  0.1494  1
  Ac  Ac1  2  0.1237  0.7500  0.8744  1
  Ac  Ac2  2  0.1350  0.2500  0.6539  1
  Ac  Ac3  2  0.2519  0.7500  0.4927  1
  Ac  Ac4  2  0.3489  0.2500  0.3149  1
  Ac  Ac5  2  0.4959  0.7500  0.1084  1
  Zn  Zn6  2  0.0586  0.2500  0.3826  1
  Hg  Hg7  2  0.2299  0.2500  0.0315  1
  Hg  Hg8  2  0.3662  0.7500  0.7636  1
  Hg  Hg9  2  0.4607  0.2500  0.6076  1
]