data_BaBiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiRh2
_chemical_formula_sum   'Ba1 Bi1 Rh2'
_cell_volume   96.38
_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  0.18  1.0
  Bi  Bi1  1  0.47  0.0  0.25  1.0
  Rh  Rh2  1  0.0  0.0  0.59  1.0
  Rh  Rh3  1  0.47  0.0  0.11  1.0

data_BaBiRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaBiRh2
_chemical_formula_sum   'Ba1 Bi1 Rh2'
_cell_volume   96.43
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.18  1.0
  Bi  Bi1  1  0.47  0.0  0.25  1.0
  Rh  Rh2  1  0.0  0.0  0.59  1.0
  Rh  Rh3  1  0.47  0.0  0.11  1.0

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