data_[Ac2Cu4Ni4]
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 [P-1]
_cell_length_a [5.4622]
_cell_length_b [5.9459]
_cell_length_c [6.6497]
_cell_angle_alpha [86.6319]
_cell_angle_beta [66.6922]
_cell_angle_gamma [65.2477]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac(CuNi)2]
_chemical_formula_sum '[Ac2 Cu4 Ni4]'
_cell_volume [178.6331]
_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  2  0.3685  0.7530  0.7435  1
  Cu  Cu1  2  0.0376  0.3750  0.7975  1
  Cu  Cu2  2  0.2541  0.8652  0.2752  1
  Ni  Ni3  2  0.0283  0.3005  0.4431  1
  Ni  Ni4  2  0.2827  0.1893  0.0356  1
]