data_[Nd4Y4B2I6Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8616]
_cell_length_b [4.0898]
_cell_length_c [8.9052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y2BI3Br2]
_chemical_formula_sum '[Nd4 Y4 B2 I6 Br4]'
_cell_volume [671.6203]
_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  0.0007  0.0000  0.7983  1
  Y  Y1  4  0.1370  0.5000  0.0703  1
  B  B2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1761  0.0000  0.8328  1
  I  I4  2  0.0000  0.5000  0.5000  1
  Br  Br5  4  0.1624  0.0000  0.3065  1
]