data_[Nd2Br6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8346]
_cell_length_b [6.8384]
_cell_length_c [7.8969]
_cell_angle_alpha [98.5428]
_cell_angle_beta [106.3813]
_cell_angle_gamma [99.2653]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NdBr3Cl]
_chemical_formula_sum '[Nd2 Br6 Cl2]'
_cell_volume [342.0716]
_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
[
  Nd  Nd0  2  0.2447  0.7443  0.5002  1
  Br  Br1  2  0.0077  0.0375  0.2832  1
  Br  Br2  2  0.3341  0.3635  0.2825  1
  Br  Br3  2  0.4913  0.8702  0.2664  1
  Cl  Cl4  2  0.1464  0.4794  0.7128  1
]