data_[Ac1Tl2I1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9394]
_cell_length_b [5.3732]
_cell_length_c [7.2073]
_cell_angle_alpha [80.6056]
_cell_angle_beta [85.7163]
_cell_angle_gamma [89.2441]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AcTl2IO8]
_chemical_formula_sum '[Ac1 Tl2 I1 O8]'
_cell_volume [188.1909]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Tl  Tl1  2  0.4582  0.4492  0.7480  1
  I  I2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1335  0.7793  0.2121  1
  O  O4  2  0.1879  0.8352  0.8170  1
  O  O5  2  0.2979  0.2329  0.0027  1
  O  O6  2  0.4066  0.2685  0.4754  1
]