data_[Ac8Cu8Hg4]
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 [12.3177]
_cell_length_b [4.3612]
_cell_length_c [11.4092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Cu2Hg]
_chemical_formula_sum '[Ac8 Cu8 Hg4]'
_cell_volume [538.0948]
_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  0.0042  0.5000  0.3287  1
  Ac  Ac1  4  0.1835  0.5000  0.1036  1
  Cu  Cu2  4  0.0124  0.0000  0.8920  1
  Cu  Cu3  4  0.1188  0.0000  0.5579  1
  Hg  Hg4  4  0.2281  0.0000  0.3618  1
]