data_B3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   4.01
_cell_angle_alpha   115.17
_cell_angle_beta   115.17
_cell_angle_gamma   115.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Rh
_chemical_formula_sum   'B3 Rh1'
_cell_volume   35.53
_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
  B  B0  1  0.0  0.95  0.89  1.0
  B  B1  1  0.69  0.02  0.89  1.0
  B  B2  1  0.31  0.02  0.89  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_B3Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.01
_cell_length_c   4.01
_cell_angle_alpha   115.17
_cell_angle_beta   102.9
_cell_angle_gamma   102.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Rh
_chemical_formula_sum   'B3 Rh1'
_cell_volume   35.53
_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
  B  B0  1  0.89  0.2  0.87  1.0
  B  B1  1  0.89  0.59  0.87  1.0
  B  B2  1  0.89  0.89  0.94  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

B B B Rh
B B B Rh 0 3 o + + 0 1 - + o 0 2 o + o 1 3 + o + 