data_[Nd6Dy8Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.6438]
_cell_length_b [7.2620]
_cell_length_c [6.3011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Dy4Th]
_chemical_formula_sum '[Nd6 Dy8 Th2]'
_cell_volume [532.8073]
_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
[
  Nd  Nd0  4  0.2480  0.6234  0.9754  1
  Nd  Nd1  2  0.0000  0.6206  0.6440  1
  Dy  Dy2  4  0.2482  0.1249  0.9861  1
  Dy  Dy3  2  0.0000  0.1276  0.6500  1
  Dy  Dy4  2  0.0000  0.8773  0.1468  1
  Th  Th5  2  0.0000  0.3709  0.1514  1
]