data_[Ac2La8Er6]
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 [C2/m]
_cell_length_a [16.7421]
_cell_length_b [5.9190]
_cell_length_c [6.1672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcLa4Er3]
_chemical_formula_sum '[Ac2 La8 Er6]'
_cell_volume [571.8537]
_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
[
  La  La0  4  0.1388  0.5000  0.5935  1
  La  La1  4  0.2395  0.0000  0.8065  1
  Ac  Ac2  2  0.0000  0.5000  0.0000  1
  Er  Er3  4  0.1322  0.0000  0.1884  1
  Er  Er4  2  0.0000  0.0000  0.5000  1
]