data_[Pr1Nd1Al2Br2]
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
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3207]
_cell_length_b [4.3207]
_cell_length_c [11.6680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrNd(AlBr)2]
_chemical_formula_sum '[Pr1 Nd1 Al2 Br2]'
_cell_volume [188.6434]
_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  0.1860  1
  Nd  Nd1  1  0.0000  0.0000  0.8140  1
  Al  Al2  1  0.3333  0.6667  0.9840  1
  Al  Al3  1  0.6667  0.3333  0.0156  1
  Br  Br4  1  0.3333  0.6667  0.3389  1
  Br  Br5  1  0.6667  0.3333  0.6615  1
]