data_[Pm12Dy6Th2]
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 [P2/m]
_cell_length_a [6.2478]
_cell_length_b [3.6239]
_cell_length_c [29.4741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm6Dy3Th]
_chemical_formula_sum '[Pm12 Dy6 Th2]'
_cell_volume [665.7585]
_cell_formula_units_Z [2]
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  2  0.1368  0.0000  0.4005  1
  Pm  Pm1  2  0.1914  0.5000  0.0986  1
  Pm  Pm2  2  0.2350  0.0000  0.7012  1
  Pm  Pm3  2  0.2986  0.0000  0.9009  1
  Pm  Pm4  2  0.3725  0.5000  0.5986  1
  Pm  Pm5  2  0.3994  0.0000  0.2006  1
  Dy  Dy6  2  0.1013  0.5000  0.7995  1
  Dy  Dy7  2  0.2642  0.5000  0.2987  1
  Dy  Dy8  1  0.0000  0.5000  0.5000  1
  Dy  Dy9  1  0.5000  0.5000  0.0000  1
  Th  Th10  1  0.0000  0.0000  0.0000  1
  Th  Th11  1  0.5000  0.0000  0.5000  1
]