data_[Nd6Dy12Th2]
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 [C2/m]
_cell_length_a [11.4957]
_cell_length_b [6.6169]
_cell_length_c [9.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Dy6Th]
_chemical_formula_sum '[Nd6 Dy12 Th2]'
_cell_volume [667.0231]
_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  0.0687  0.0000  0.6897  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Dy  Dy2  8  0.1858  0.2521  0.3141  1
  Dy  Dy3  4  0.1355  0.5000  0.9178  1
  Th  Th4  2  0.0000  0.5000  0.5000  1
]