data_[Pm18Nd3Er36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.1928]
_cell_length_b [13.1928]
_cell_length_c [12.5797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm6NdEr12]
_chemical_formula_sum '[Pm18 Nd3 Er36]'
_cell_volume [1896.1501]
_cell_formula_units_Z [3]
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
[
  Pm  Pm0  18  0.0362  0.5181  0.6179  1
  Nd  Nd1  3  0.0000  0.0000  0.0000  1
  Er  Er2  18  0.0000  0.2566  0.5000  1
  Er  Er3  18  0.0914  0.9086  0.2639  1
]