data_NdB2Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdB2Rh3
_chemical_formula_sum   'Nd1 B2 Rh3'
_cell_volume   82.35
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.18  0.0  1.0
  B  B2  1  0.76  0.59  0.0  1.0
  Rh  Rh3  1  0.62  0.39  0.56  1.0
  Rh  Rh4  1  0.38  0.39  0.56  1.0
  Rh  Rh5  1  0.76  0.0  0.56  1.0

data_NdB2Rh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdB2Rh3
_chemical_formula_sum   'Nd1 B2 Rh3'
_cell_volume   82.35
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  B  B1  1  -0.0  0.0  0.18  1.0
  B  B2  1  0.0  0.76  0.59  1.0
  Rh  Rh3  1  0.56  0.38  0.39  1.0
  Rh  Rh4  1  0.56  0.62  0.39  1.0
  Rh  Rh5  1  0.56  0.76  0.0  1.0

Nd B B Rh Rh Rh
Nd B B Rh Rh Rh 0 1 o o o 0 2 - - o 0 5 - o o 0 5 - o - 1 5 - o o 1 5 - o - 2 3 o o - 2 3 o o o 3 4 o o o 