data_[Ac4Cu2Hg5]
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 [P2/m]
_cell_length_a [8.1233]
_cell_length_b [4.1450]
_cell_length_c [9.6995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4Cu2Hg5]
_chemical_formula_sum '[Ac4 Cu2 Hg5]'
_cell_volume [326.4559]
_cell_formula_units_Z [1]
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  0.2030  0.5000  0.1454  1
  Ac  Ac1  2  0.2412  0.5000  0.6008  1
  Cu  Cu2  2  0.0625  0.0000  0.3830  1
  Hg  Hg3  2  0.1361  0.0000  0.8673  1
  Hg  Hg4  2  0.4160  0.0000  0.3530  1
  Hg  Hg5  1  0.5000  0.0000  0.0000  1
]