data_[Ac8Tc2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tc  1.9000  1.3500  0.7417
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [10.6944]
_cell_length_b [10.6944]
_cell_length_c [8.1122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [137]
_chemical_formula_structural [Ac4TcI6]
_chemical_formula_sum '[Ac8 Tc2 I12]'
_cell_volume [927.7893]
_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  0.0000  0.2273  0.3495  1
  Tc  Tc1  2  0.0000  0.0000  0.5000  1
  I  I2  8  0.2028  0.2028  0.0000  1
  I  I3  4  0.0000  0.5000  0.1119  1
]