data_BaBi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi2Rh
_chemical_formula_sum   'Ba1 Bi2 Rh1'
_cell_volume   120.62
_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  0.76  0.76  0.84  1.0
  Bi  Bi1  1  0.0  0.0  0.68  1.0
  Bi  Bi2  1  0.76  0.76  0.17  1.0
  Rh  Rh3  1  0.0  0.0  0.52  1.0

data_BaBi2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaBi2Rh
_chemical_formula_sum   'Ba2 Bi4 Rh2'
_cell_volume   241.23
_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  0.26  0.5  0.84  1.0
  Bi  Bi1  2  0.0  0.0  0.68  1.0
  Bi  Bi2  2  0.26  0.5  0.17  1.0
  Rh  Rh3  2  0.0  0.0  0.52  1.0

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