data_[Ac4Pm4Er16]
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 [C2/m]
_cell_length_a [12.4018]
_cell_length_b [7.2672]
_cell_length_c [8.8423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcPmEr4]
_chemical_formula_sum '[Ac4 Pm4 Er16]'
_cell_volume [796.7580]
_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  0.0886  0.5000  0.3299  1
  Pm  Pm1  4  0.0863  0.0000  0.3299  1
  Er  Er2  8  0.1635  0.2496  0.6748  1
  Er  Er3  4  0.0000  0.2459  0.0000  1
  Er  Er4  4  0.2477  0.0000  0.0022  1
]