data_[Ac3La24Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4721]
_cell_length_b [11.4721]
_cell_length_c [13.5783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac(La2Er)4]
_chemical_formula_sum '[Ac3 La24 Er12]'
_cell_volume [1547.6039]
_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
[
  La  La0  18  0.0160  0.5080  0.7392  1
  La  La1  6  0.0000  0.0000  0.2339  1
  Ac  Ac2  3  0.0000  0.0000  0.5000  1
  Er  Er3  9  0.0000  0.5000  0.0000  1
  Er  Er4  3  0.0000  0.0000  0.0000  1
]