data_[Ac12Dy4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Dy  1.2200  1.7500  1.1310
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8976]
_cell_length_b [4.3846]
_cell_length_c [12.9386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3DyIr2]
_chemical_formula_sum '[Ac12 Dy4 Ir8]'
_cell_volume [842.9076]
_cell_formula_units_Z [4]
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  0.0582  0.0000  0.1954  1
  Ac  Ac1  4  0.1817  0.5000  0.0450  1
  Ac  Ac2  4  0.1849  0.0000  0.5623  1
  Dy  Dy3  4  0.0548  0.5000  0.6895  1
  Ir  Ir4  4  0.1236  0.5000  0.3787  1
  Ir  Ir5  4  0.1248  0.0000  0.8556  1
]