data_[Ac4Pr12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2460]
_cell_length_b [7.4549]
_cell_length_c [9.3525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcPr3Hg]
_chemical_formula_sum '[Ac4 Pr12 Hg4]'
_cell_volume [732.4061]
_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  0.0295  0.0000  0.2301  1
  Pr  Pr1  8  0.1624  0.2702  0.6855  1
  Pr  Pr2  4  0.1176  0.5000  0.3110  1
  Hg  Hg3  4  0.1752  0.5000  0.9934  1
]