data_[Pm18Dy18Th6]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.7070]
_cell_length_b [8.7070]
_cell_length_c [21.9013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm3Dy3Th]
_chemical_formula_sum '[Pm18 Dy18 Th6]'
_cell_volume [1437.9326]
_cell_formula_units_Z [6]
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  0.0459  0.5993  0.8830  1
  Dy  Dy1  18  0.0034  0.7686  0.0581  1
  Th  Th2  6  0.0000  0.0000  0.3449  1
]