data_[Pr2Nd4Th6Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7173]
_cell_length_b [4.5224]
_cell_length_c [9.0307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNd2(ThSb2)3]
_chemical_formula_sum '[Pr2 Nd4 Th6 Sb12]'
_cell_volume [783.7484]
_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  2  0.0000  0.5000  0.0000  1
  Nd  Nd1  4  0.1667  0.0000  0.3331  1
  Th  Th2  4  0.1664  0.0000  0.8329  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Sb  Sb4  4  0.0002  0.0000  0.7478  1
  Sb  Sb5  4  0.1664  0.5000  0.5838  1
  Sb  Sb6  4  0.1676  0.5000  0.0826  1
]