data_[Ac6Dy6Er45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.5306]
_cell_length_b [11.5306]
_cell_length_c [16.6964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Dy2Er15]
_chemical_formula_sum '[Ac6 Dy6 Er45]'
_cell_volume [1922.4392]
_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  0.1134  1
  Dy  Dy1  6  0.0000  0.0000  0.3575  1
  Er  Er2  18  0.0000  0.3459  0.0000  1
  Er  Er3  18  0.0262  0.5131  0.1761  1
  Er  Er4  9  0.0000  0.5000  0.5000  1
]