data_[Ac12Tl2Ir4Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.0923]
_cell_length_b [4.4262]
_cell_length_c [9.7969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6TlIr2Br3]
_chemical_formula_sum '[Ac12 Tl2 Ir4 Br6]'
_cell_volume [869.9610]
_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  0.0241  0.0000  0.2597  1
  Ac  Ac1  4  0.1651  0.5000  0.1314  1
  Ac  Ac2  4  0.1825  0.5000  0.5566  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.1698  0.0000  0.3423  1
  Br  Br5  4  0.1662  0.0000  0.8469  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]