data_[Ac3Tb6Er18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.8286]
_cell_length_b [6.8286]
_cell_length_c [25.2485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ac(TbEr3)2]
_chemical_formula_sum '[Ac3 Tb6 Er18]'
_cell_volume [1019.6084]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.2468  1
  Tb  Tb1  3  0.0000  0.0000  0.4253  1
  Ac  Ac2  3  0.0000  0.0000  0.6658  1
  Er  Er3  9  0.0082  0.5041  0.2164  1
  Er  Er4  9  0.1684  0.3367  0.7824  1
]