data_[Ac8Pm16Er12]
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 [Fmmm]
_cell_length_a [6.3284]
_cell_length_b [12.4368]
_cell_length_c [16.4710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ac2Pm4Er3]
_chemical_formula_sum '[Ac8 Pm16 Er12]'
_cell_volume [1296.3468]
_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  8  0.0000  0.0000  0.3834  1
  Pm  Pm1  16  0.0000  0.1473  0.1862  1
  Er  Er2  8  0.2500  0.2500  0.0000  1
  Er  Er3  4  0.0000  0.0000  0.0000  1
]