data_SiB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   3.99
_cell_angle_alpha   126.13
_cell_angle_beta   126.13
_cell_angle_gamma   79.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2Rh
_chemical_formula_sum   'Si1 B2 Rh1'
_cell_volume   39.94
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.81  0.0  0.53  1.0
  B  B1  1  0.0  0.81  0.53  1.0
  Rh  Rh2  1  0.0  0.0  0.06  1.0

data_SiB2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   129.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiB2Rh
_chemical_formula_sum   'Si2 B4 Rh2'
_cell_volume   79.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.0  1.0
  B  B1  4  0.1  0.9  0.72  1.0
  Rh  Rh2  2  0.0  0.0  0.06  1.0

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