data_[Pm18Nd36Y3]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [15.8092]
_cell_length_b [15.8092]
_cell_length_c [9.7343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm6Nd12Y]
_chemical_formula_sum '[Pm18 Nd36 Y3]'
_cell_volume [2106.9651]
_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  0.0348  0.5174  0.1871  1
  Nd  Nd1  18  0.0000  0.3933  0.5000  1
  Nd  Nd2  18  0.0680  0.1359  0.3126  1
  Y  Y3  3  0.0000  0.0000  0.0000  1
]