data_[Ac12Co4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1399]
_cell_length_b [4.2473]
_cell_length_c [12.6747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac3CoIr2]
_chemical_formula_sum '[Ac12 Co4 Ir8]'
_cell_volume [653.5251]
_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  0.0627  0.2500  0.6176  1
  Ac  Ac1  4  0.1240  0.7500  0.0515  1
  Ac  Ac2  4  0.2019  0.2500  0.3050  1
  Co  Co3  4  0.1132  0.2500  0.8593  1
  Ir  Ir4  4  0.0333  0.7500  0.8187  1
  Ir  Ir5  4  0.1854  0.7500  0.4753  1
]