data_BaB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.22
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   106.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2Rh
_chemical_formula_sum   'Ba1 B2 Rh1'
_cell_volume   67.06
_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
  Ba  Ba2  1  0.51  0.61  0.06  1.0
  B  B0  1  0.4  0.61  0.52  1.0
  B  B1  1  0.34  0.0  0.07  1.0
  Rh  Rh3  1  0.11  0.0  0.44  1.0

data_BaB2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.7
_cell_length_c   5.86
_cell_angle_alpha   106.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2Rh
_chemical_formula_sum   'Ba1 B2 Rh1'
_cell_volume   67.06
_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
  Ba  Ba0  1  0.39  0.49  0.94  1.0
  B  B1  1  0.0  0.66  0.93  1.0
  B  B2  1  0.39  0.6  0.48  1.0
  Rh  Rh3  1  0.0  0.89  0.56  1.0

Ba B B Rh