data_[Ac6Ga3Cu36Ni9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0106]
_cell_length_b [8.0106]
_cell_length_c [18.6516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Ga(Cu4Ni)3]
_chemical_formula_sum '[Ac6 Ga3 Cu36 Ni9]'
_cell_volume [1036.5266]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3907  1
  Ga  Ga1  3  0.0000  0.0000  0.0000  1
  Cu  Cu2  18  0.0186  0.5093  0.6272  1
  Cu  Cu3  18  0.1070  0.2139  0.2312  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]