data_[Nd6Ge4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2161]
_cell_length_b [4.2119]
_cell_length_c [7.9058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(GeBr)2]
_chemical_formula_sum '[Nd6 Ge4 Br4]'
_cell_volume [461.3980]
_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  0.2402  0.0000  0.7683  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.1207  0.5000  0.8905  1
  Br  Br3  4  0.1386  0.0000  0.3698  1
]