data_[Ac4La10Er12]
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 [Pbam]
_cell_length_a [11.9762]
_cell_length_b [21.0267]
_cell_length_c [3.6782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ac2La5Er6]
_chemical_formula_sum '[Ac4 La10 Er12]'
_cell_volume [926.2539]
_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  0.0701  0.2064  0.5000  1
  Ac  Ac1  4  0.1878  0.7677  0.0000  1
  La  La2  4  0.1993  0.9353  0.5000  1
  La  La3  2  0.0000  0.5000  0.5000  1
  Er  Er4  4  0.0553  0.3557  0.0000  1
  Er  Er5  4  0.0707  0.0663  0.0000  1
  Er  Er6  4  0.1935  0.6166  0.5000  1
]