data_[Tb4Nd4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0131]
_cell_length_b [17.4107]
_cell_length_c [7.0675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbNdBr4]
_chemical_formula_sum '[Tb4 Nd4 Br16]'
_cell_volume [813.8765]
_cell_formula_units_Z [4]
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
[
  Tb  Tb0  4  0.0000  0.0565  0.2500  1
  Nd  Nd1  4  0.0000  0.4458  0.7500  1
  Br  Br2  8  0.2357  0.9264  0.2416  1
  Br  Br3  8  0.2458  0.1727  0.2555  1
]