data_[Ac3Cu36Ge18]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.7956]
_cell_length_b [10.7956]
_cell_length_c [8.8785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac(Cu2Ge)6]
_chemical_formula_sum '[Ac3 Cu36 Ge18]'
_cell_volume [896.1165]
_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  3  0.0000  0.0000  0.0000  1
  Cu  Cu1  18  0.0000  0.3867  0.5000  1
  Cu  Cu2  18  0.0840  0.1680  0.3171  1
  Ge  Ge3  18  0.0433  0.5216  0.2560  1
]