data_[Pr1Nd3C2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7821]
_cell_length_b [3.7821]
_cell_length_c [14.4104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrNd3(CCl)2]
_chemical_formula_sum '[Pr1 Nd3 C2 Cl2]'
_cell_volume [178.5134]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0960  1
  Nd  Nd1  1  0.0000  0.0000  0.4048  1
  Nd  Nd2  1  0.6667  0.3333  0.5957  1
  Nd  Nd3  1  0.6667  0.3333  0.9035  1
  C  C4  1  0.3333  0.6667  0.5003  1
  C  C5  1  0.3333  0.6667  0.9978  1
  Cl  Cl6  1  0.0000  0.0000  0.7495  1
  Cl  Cl7  1  0.6667  0.3333  0.2524  1
]