data_BaScRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   151.99
_cell_angle_beta   151.99
_cell_angle_gamma   40.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaScRh
_chemical_formula_sum   'Ba1 Sc1 Rh1'
_cell_volume   83.25
_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  0.0  0.0  0.27  1.0
  Sc  Sc2  1  0.0  0.0  0.8  1.0
  Rh  Rh1  1  0.0  0.0  0.11  1.0

data_BaScRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   110.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaScRh
_chemical_formula_sum   'Ba2 Sc2 Rh2'
_cell_volume   166.5
_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
  Ba  Ba0  2  0.0  0.0  0.73  1.0
  Sc  Sc1  2  0.0  0.0  0.2  1.0
  Rh  Rh2  2  0.0  0.0  0.89  1.0

Ba Sc Rh
Ba Sc Rh 0 2 o o o 1 2 o o + 