data_ScB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2Rh
_chemical_formula_sum   'Sc1 B2 Rh1'
_cell_volume   49.0
_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
  Sc  Sc3  1  0.0  0.0  0.29  1.0
  B  B0  1  0.58  0.0  0.77  1.0
  B  B1  1  0.0  0.0  0.07  1.0
  Rh  Rh2  1  0.58  0.0  0.54  1.0

data_ScB2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2Rh
_chemical_formula_sum   'Sc1 B2 Rh1'
_cell_volume   49.0
_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
  Sc  Sc0  1  0.0  0.0  0.29  1.0
  B  B1  1  0.0  0.0  0.07  1.0
  B  B2  1  0.58  0.0  0.77  1.0
  Rh  Rh3  1  0.58  0.0  0.54  1.0

Sc B B Rh
Sc B B Rh 0 2 o o o 1 3 o o o 