data_[K4Ac2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6944]
_cell_length_b [6.1712]
_cell_length_c [6.1820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2AcIrO6]
_chemical_formula_sum '[K4 Ac2 Ir2 O12]'
_cell_volume [333.0638]
_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
[
  K  K0  4  0.2496  0.0000  0.2494  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  Ir  Ir2  2  0.0000  0.5000  0.0000  1
  O  O3  8  0.0083  0.2801  0.7890  1
  O  O4  4  0.2196  0.5000  0.2359  1
]