data_[Ac8Pb2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1998]
_cell_length_b [4.6281]
_cell_length_c [9.8535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4PbI5]
_chemical_formula_sum '[Ac8 Pb2 I10]'
_cell_volume [907.8736]
_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  0.0026  0.0000  0.2340  1
  Ac  Ac1  4  0.1654  0.5000  0.0603  1
  Pb  Pb2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1670  0.0000  0.8012  1
  I  I4  4  0.1704  0.0000  0.3171  1
  I  I5  2  0.0000  0.5000  0.5000  1
]