data_[Pr4Nd4C2I6Cl4]
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
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1287]
_cell_length_b [4.0715]
_cell_length_c [8.9523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Nd2CI3Cl2]
_chemical_formula_sum '[Pr4 Nd4 C2 I6 Cl4]'
_cell_volume [645.0611]
_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  0.0036  0.0000  0.8057  1
  Nd  Nd1  4  0.1423  0.5000  0.0654  1
  C  C2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1745  0.0000  0.3388  1
  I  I4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  4  0.1698  0.0000  0.8571  1
]