data_[Ac12Pm12Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.8955]
_cell_length_b [5.6354]
_cell_length_c [14.0828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac3Pm3Er]
_chemical_formula_sum '[Ac12 Pm12 Er4]'
_cell_volume [1102.7719]
_cell_formula_units_Z [4]
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  4  0.0906  0.2500  0.9386  1
  Ac  Ac1  4  0.0946  0.2500  0.4421  1
  Ac  Ac2  4  0.1872  0.7500  0.6394  1
  Pm  Pm3  4  0.0355  0.2500  0.6884  1
  Pm  Pm4  4  0.1632  0.7500  0.0660  1
  Pm  Pm5  4  0.2074  0.7500  0.3003  1
  Er  Er6  4  0.0469  0.2500  0.1875  1
]