data_[Ac6Ho39]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4443]
_cell_length_b [9.4443]
_cell_length_c [22.1719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Ho13]
_chemical_formula_sum '[Ac6 Ho39]'
_cell_volume [1712.6789]
_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  0.2323  1
  Ho  Ho1  18  0.1008  0.5504  0.2975  1
  Ho  Ho2  18  0.1017  0.5509  0.5733  1
  Ho  Ho3  3  -0.0000  -0.0000  0.5000  1
]