data_[Ac12H2Pt4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6423]
_cell_length_b [13.2376]
_cell_length_c [8.9542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6HPt2I3]
_chemical_formula_sum '[Ac12 H2 Pt4 I6]'
_cell_volume [868.1528]
_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  8  0.2307  0.8321  0.1877  1
  Ac  Ac1  4  0.2263  0.5000  0.1869  1
  H  H2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.3334  0.0000  1
  I  I4  4  0.0000  0.1691  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]