data_[Pm36Dy18Y3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.8320]
_cell_length_b [14.8320]
_cell_length_c [10.4294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12Dy6Y]
_chemical_formula_sum '[Pm36 Dy18 Y3]'
_cell_volume [1986.9642]
_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  0.0528  0.7986  0.0792  1
  Pm  Pm1  18  0.0653  0.8380  0.4194  1
  Dy  Dy2  18  0.0501  0.8379  0.7595  1
  Y  Y3  3  0.0000  0.0000  0.0000  1
]