data_[Ac4Cu20Hg4]
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 [Pnma]
_cell_length_a [8.6079]
_cell_length_b [5.2663]
_cell_length_c [10.6756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AcCu5Hg]
_chemical_formula_sum '[Ac4 Cu20 Hg4]'
_cell_volume [483.9418]
_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  0.2396  0.2500  0.0631  1
  Cu  Cu1  8  0.0651  0.5024  0.3160  1
  Cu  Cu2  4  0.0565  0.7500  0.1181  1
  Cu  Cu3  4  0.0814  0.2500  0.5152  1
  Cu  Cu4  4  0.1840  0.2500  0.7437  1
  Hg  Hg5  4  0.1406  0.7500  0.8662  1
]