data_FeB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   4.71
_cell_angle_alpha   104.07
_cell_angle_beta   104.07
_cell_angle_gamma   49.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Rh
_chemical_formula_sum   'Fe1 B2 Rh1'
_cell_volume   38.05
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.21  0.0  0.97  1.0
  B  B1  1  0.55  0.0  0.57  1.0
  Rh  Rh3  1  0.38  0.0  0.27  1.0

data_FeB2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.31
_cell_length_c   4.71
_cell_angle_alpha   104.07
_cell_angle_beta   90.0
_cell_angle_gamma   114.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Rh
_chemical_formula_sum   'Fe1 B2 Rh1'
_cell_volume   38.05
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.45  0.43  1.0
  B  B2  1  0.0  0.79  0.03  1.0
  Rh  Rh3  1  0.0  0.62  0.73  1.0

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