data_[Ac96Pm24Hg40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [19.6946]
_cell_length_b [19.6946]
_cell_length_c [19.6946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ac12Pm3Hg5]
_chemical_formula_sum '[Ac96 Pm24 Hg40]'
_cell_volume [7639.0309]
_cell_formula_units_Z [8]
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  96  0.0215  0.0707  0.6472  1
  Pm  Pm1  24  0.0000  0.2500  0.1250  1
  Hg  Hg2  24  0.0000  0.2500  0.3750  1
  Hg  Hg3  16  0.0000  0.0000  0.0000  1
]