data_[Ac16Cu2Ni4]
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 [Cm]
_cell_length_a [8.8129]
_cell_length_b [13.8245]
_cell_length_c [6.7309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac8CuNi2]
_chemical_formula_sum '[Ac16 Cu2 Ni4]'
_cell_volume [782.6195]
_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  0.2215  0.1339  0.5816  1
  Ac  Ac1  4  0.2827  0.3652  0.3642  1
  Ac  Ac2  4  0.4951  0.2908  0.9762  1
  Ac  Ac3  2  0.1402  0.5000  0.7936  1
  Ac  Ac4  2  0.3654  0.0000  0.1736  1
  Cu  Cu5  2  0.0109  0.0000  0.1988  1
  Ni  Ni6  4  0.0095  0.3025  0.4949  1
]