data_Ba2BiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BiRh
_chemical_formula_sum   'Ba2 Bi1 Rh1'
_cell_volume   131.68
_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  0.87  0.87  0.95  1.0
  Ba  Ba1  1  0.87  0.87  0.44  1.0
  Bi  Bi2  1  0.0  0.0  0.7  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Ba2BiRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2BiRh
_chemical_formula_sum   'Ba4 Bi2 Rh2'
_cell_volume   263.35
_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  0.37  0.5  0.44  1.0
  Ba  Ba1  2  0.37  0.5  0.95  1.0
  Bi  Bi2  2  0.0  0.0  0.7  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Ba Ba Bi Rh
Ba Ba Bi Rh 0 3 + + + 0 2 + + o 1 2 + + o 2 3 o o + 