data_[Nd6Rh2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0407]
_cell_length_b [4.0940]
_cell_length_c [12.2177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3RhBr3]
_chemical_formula_sum '[Nd6 Rh2 Br6]'
_cell_volume [451.7477]
_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  2  0.1069  0.2500  0.3799  1
  Nd  Nd1  2  0.1222  0.2500  0.8485  1
  Nd  Nd2  2  0.3210  0.7500  0.6217  1
  Rh  Rh3  2  0.1093  0.2500  0.6202  1
  Br  Br4  2  0.1253  0.2500  0.1119  1
  Br  Br5  2  0.3696  0.7500  0.8712  1
  Br  Br6  2  0.3945  0.7500  0.3728  1
]