data_[Ac6Cu22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3002]
_cell_length_b [9.5526]
_cell_length_c [12.5809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Cu11]
_chemical_formula_sum '[Ac6 Cu22]'
_cell_volume [516.7991]
_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  4  0.0000  0.0000  0.3097  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.0000  0.2810  0.1107  1
  Cu  Cu3  8  0.0000  0.3302  0.3161  1
  Cu  Cu4  4  0.0000  0.2257  0.5000  1
  Cu  Cu5  2  0.0000  0.5000  0.0000  1
]