data_[Pm12Dy10Th2]
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 [Immm]
_cell_length_a [5.0981]
_cell_length_b [10.1789]
_cell_length_c [15.2712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pm6Dy5Th]
_chemical_formula_sum '[Pm12 Dy10 Th2]'
_cell_volume [792.4722]
_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  8  0.0000  0.2496  0.1647  1
  Pm  Pm1  4  0.0000  0.2522  0.5000  1
  Dy  Dy2  4  0.0000  0.0000  0.3323  1
  Dy  Dy3  4  0.0000  0.5000  0.3357  1
  Dy  Dy4  2  0.0000  0.5000  0.0000  1
  Th  Th5  2  0.0000  0.0000  0.0000  1
]