data_[Pm9Dy18Th6]
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-3m]
_cell_length_a [3.5872]
_cell_length_b [3.5872]
_cell_length_c [95.7800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm3(Dy3Th)2]
_chemical_formula_sum '[Pm9 Dy18 Th6]'
_cell_volume [1067.3857]
_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  6  0.0000  0.0000  0.2724  1
  Pm  Pm1  3  0.0000  0.0000  0.0000  1
  Dy  Dy2  6  0.0000  0.0000  0.0922  1
  Dy  Dy3  6  0.0000  0.0000  0.1823  1
  Dy  Dy4  6  0.0000  0.0000  0.3640  1
  Th  Th5  6  0.0000  0.0000  0.4551  1
]