data_[Ce3Nd1N2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7188]
_cell_length_b [3.7188]
_cell_length_c [14.3219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ce3Nd(NCl)2]
_chemical_formula_sum '[Ce3 Nd1 N2 Cl2]'
_cell_volume [171.5255]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.5965  1
  Ce  Ce1  1  0.3333  0.6667  0.0944  1
  Ce  Ce2  1  0.3333  0.6667  0.4049  1
  Nd  Nd3  1  0.0000  0.0000  0.9064  1
  N  N4  1  0.6667  0.3333  0.5007  1
  N  N5  1  0.6667  0.3333  0.9921  1
  Cl  Cl6  1  0.0000  0.0000  0.2494  1
  Cl  Cl7  1  0.3333  0.6667  0.7557  1
]