data_[Ac8Cu4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8129]
_cell_length_b [4.5799]
_cell_length_c [12.3304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2CuHg2]
_chemical_formula_sum '[Ac8 Cu4 Hg8]'
_cell_volume [597.8685]
_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  0.0473  0.0000  0.3562  1
  Ac  Ac1  4  0.1905  0.0000  0.1128  1
  Cu  Cu2  4  0.2283  0.5000  0.3204  1
  Hg  Hg3  4  0.0220  0.5000  0.8766  1
  Hg  Hg4  4  0.1427  0.5000  0.5846  1
]