data_[Ac2In3Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1356]
_cell_length_b [5.1356]
_cell_length_c [11.3109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac2In3Hg4]
_chemical_formula_sum '[Ac2 In3 Hg4]'
_cell_volume [258.3470]
_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  0.3333  0.6667  0.2215  1
  In  In1  2  0.3333  0.6667  0.5574  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.3556  1
  Hg  Hg4  2  0.3333  0.6667  0.9097  1
]