data_BaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   138.36
_cell_angle_beta   138.36
_cell_angle_gamma   60.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRh
_chemical_formula_sum   'Ba2 Rh2'
_cell_volume   106.92
_cell_formula_units_Z   2
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  0.22  0.0  0.7  1.0
  Ba  Ba1  1  0.0  0.0  0.41  1.0
  Rh  Rh2  1  0.0  0.22  0.7  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_BaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.26
_cell_angle_alpha   110.82
_cell_angle_beta   110.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRh
_chemical_formula_sum   'Ba2 Rh2'
_cell_volume   106.92
_cell_formula_units_Z   2
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  0.3  0.0  0.52  1.0
  Ba  Ba1  1  0.59  0.0  0.59  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.52  0.22  0.52  1.0

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