data_[Ac12Co6Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.4263]
_cell_length_b [4.2723]
_cell_length_c [13.3244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6Co3Hg]
_chemical_formula_sum '[Ac12 Co6 Hg2]'
_cell_volume [649.6961]
_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  0.0647  0.2500  0.3920  1
  Ac  Ac1  2  0.0806  0.2500  0.9321  1
  Ac  Ac2  2  0.2464  0.2500  0.7044  1
  Ac  Ac3  2  0.2528  0.7500  0.2345  1
  Ac  Ac4  2  0.4018  0.7500  0.5618  1
  Ac  Ac5  2  0.4571  0.2500  0.1254  1
  Co  Co6  2  0.0905  0.2500  0.1614  1
  Co  Co7  2  0.1610  0.7500  0.5492  1
  Co  Co8  2  0.4922  0.2500  0.7172  1
  Hg  Hg9  2  0.2915  0.7500  0.9247  1
]