data_[Ac8Tl1Ir2Ru1]
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
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2298]
_cell_length_b [7.7371]
_cell_length_c [7.9516]
_cell_angle_alpha [87.8528]
_cell_angle_beta [75.1492]
_cell_angle_gamma [88.0123]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac8TlIr2Ru]
_chemical_formula_sum '[Ac8 Tl1 Ir2 Ru1]'
_cell_volume [429.4919]
_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  2  0.1929  0.2910  0.0839  1
  Ac  Ac1  2  0.2532  0.4047  0.5619  1
  Ac  Ac2  2  0.2713  0.7660  0.1687  1
  Ac  Ac3  2  0.3388  0.9011  0.7122  1
  Tl  Tl4  1  0.0000  0.0000  0.5000  1
  Ir  Ir5  2  0.4694  0.5503  0.8035  1
  Ru  Ru6  1  0.0000  0.0000  0.0000  1
]