data_[Ac6In10Hg12]
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 [Pmmn]
_cell_length_a [4.9634]
_cell_length_b [14.5769]
_cell_length_c [10.8101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ac3In5Hg6]
_chemical_formula_sum '[Ac6 In10 Hg12]'
_cell_volume [782.1248]
_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
[
  Ac  Ac0  4  0.0000  0.3080  0.7543  1
  Ac  Ac1  2  0.0000  0.0000  0.7564  1
  In  In2  4  0.0000  0.1407  0.4754  1
  In  In3  4  0.0000  0.3485  0.1205  1
  In  In4  2  0.0000  0.0000  0.2361  1
  Hg  Hg5  4  0.0000  0.1549  0.0250  1
  Hg  Hg6  4  0.0000  0.3372  0.3830  1
  Hg  Hg7  2  0.0000  0.5000  0.5645  1
  Hg  Hg8  2  0.0000  0.5000  0.9407  1
]