data_[Ac6Ir2Au2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8788]
_cell_length_b [4.3967]
_cell_length_c [11.8826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac3IrAuBr]
_chemical_formula_sum '[Ac6 Ir2 Au2 Br2]'
_cell_volume [411.5560]
_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  2  0.0717  0.7500  0.2103  1
  Ac  Ac1  2  0.2198  0.2500  0.5075  1
  Ac  Ac2  2  0.3943  0.7500  0.7882  1
  Ir  Ir3  2  0.0802  0.7500  0.6612  1
  Au  Au4  2  0.4185  0.7500  0.3497  1
  Br  Br5  2  0.2558  0.2500  0.0005  1
]