data_[Ac24Cu8]
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 [I-4]
_cell_length_a [13.0991]
_cell_length_b [13.0991]
_cell_length_c [6.6361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ac3Cu]
_chemical_formula_sum '[Ac24 Cu8]'
_cell_volume [1138.6698]
_cell_formula_units_Z [8]
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  8  0.0269  0.6361  0.4828  1
  Ac  Ac1  8  0.0846  0.1151  0.2495  1
  Ac  Ac2  8  0.1768  0.2192  0.7649  1
  Cu  Cu3  8  0.0410  0.7027  0.9818  1
]