data_[Nd4Br6Cl4]
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 [C2/m]
_cell_length_a [10.1767]
_cell_length_b [3.7685]
_cell_length_c [12.7556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Br3Cl2]
_chemical_formula_sum '[Nd4 Br6 Cl4]'
_cell_volume [477.6933]
_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  4  0.1110  0.0000  0.1935  1
  Br  Br1  4  0.0993  0.5000  0.3634  1
  Br  Br2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.1803  0.0000  0.8263  1
]