data_[Nd8B2Br2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  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 [17.9406]
_cell_length_b [4.0208]
_cell_length_c [8.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4BBrCl4]
_chemical_formula_sum '[Nd8 B2 Br2 Cl8]'
_cell_volume [590.2108]
_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  0.0009  0.0000  0.7868  1
  Nd  Nd1  4  0.1495  0.5000  0.0883  1
  B  B2  2  0.0000  0.5000  0.0000  1
  Br  Br3  2  0.0000  0.5000  0.5000  1
  Cl  Cl4  4  0.1652  0.0000  0.3290  1
  Cl  Cl5  4  0.1700  0.0000  0.8575  1
]