data_[Ac12As2Ir4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  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 [7.9078]
_cell_length_b [13.2993]
_cell_length_c [8.0816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6As(IrBr)2]
_chemical_formula_sum '[Ac12 As2 Ir4 Br4]'
_cell_volume [810.1990]
_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  0.2422  0.1726  0.7075  1
  Ac  Ac1  4  0.2073  0.5000  0.7080  1
  As  As2  2  0.0000  0.0000  0.5000  1
  Ir  Ir3  4  0.0000  0.3304  0.5000  1
  Br  Br4  4  0.0000  0.1589  0.0000  1
]