data_[Pr10Nd12Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.8200]
_cell_length_b [21.4512]
_cell_length_c [3.6705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Pr5(Nd3Th)2]
_chemical_formula_sum '[Pr10 Nd12 Th4]'
_cell_volume [930.6723]
_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
[
  Pr  Pr0  4  0.0593  0.2064  0.5000  1
  Pr  Pr1  4  0.1902  0.9185  0.5000  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Nd  Nd3  4  0.0645  0.3529  0.0000  1
  Nd  Nd4  4  0.0816  0.0622  0.0000  1
  Nd  Nd5  4  0.1855  0.6252  0.5000  1
  Th  Th6  4  0.1940  0.7656  0.0000  1
]