data_[Li10Ac2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9457]
_cell_length_b [14.7762]
_cell_length_c [7.2780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li5AcHg6]
_chemical_formula_sum '[Li10 Ac2 Hg12]'
_cell_volume [531.8712]
_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
[
  Li  Li0  4  0.0000  0.3190  0.0000  1
  Li  Li1  4  0.0000  0.3416  0.5000  1
  Li  Li2  2  0.0000  0.0000  0.5000  1
  Ac  Ac3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  8  0.0000  0.1777  0.2801  1
  Hg  Hg5  4  0.0000  0.5000  0.2906  1
]