data_[Ac2La4Er6]
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 [P-3m1]
_cell_length_a [7.1075]
_cell_length_b [7.1075]
_cell_length_c [9.9214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [AcLa2Er3]
_chemical_formula_sum '[Ac2 La4 Er6]'
_cell_volume [434.0479]
_cell_formula_units_Z [2]
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  2  0.3333  0.6667  0.9454  1
  La  La1  2  0.3333  0.6667  0.5910  1
  La  La2  1  0.0000  0.0000  0.0000  1
  La  La3  1  0.0000  0.0000  0.5000  1
  Er  Er4  6  0.1832  0.3664  0.2695  1
]