data_[Ac6Cu18Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2270]
_cell_length_b [9.7106]
_cell_length_c [12.3858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Cu9Ni2]
_chemical_formula_sum '[Ac6 Cu18 Ni4]'
_cell_volume [508.3923]
_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  0.3120  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.0000  0.2791  0.1071  1
  Cu  Cu3  8  0.0000  0.3213  0.3151  1
  Cu  Cu4  2  0.0000  0.5000  0.0000  1
  Ni  Ni5  4  0.0000  0.2098  0.5000  1
]