data_[Pm3Nd36Y18]
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 [13.5859]
_cell_length_b [13.5859]
_cell_length_c [12.6857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm(Nd2Y)6]
_chemical_formula_sum '[Pm3 Nd36 Y18]'
_cell_volume [2027.7799]
_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  3  0.0000  0.0000  0.0000  1
  Nd  Nd1  18  0.0000  0.2568  0.5000  1
  Nd  Nd2  18  0.0910  0.1820  0.2616  1
  Y  Y3  18  0.0430  0.5215  0.6211  1
]