data_Ba2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   107.25
_cell_angle_beta   107.25
_cell_angle_gamma   114.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Rh
_chemical_formula_sum   'Ba4 Rh2'
_cell_volume   216.87
_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  0.5  0.4  0.0  1.0
  Ba  Ba1  1  0.4  0.5  0.58  1.0
  Ba  Ba2  1  0.39  0.5  0.0  1.0
  Ba  Ba3  1  0.5  0.4  0.58  1.0
  Rh  Rh4  1  0.0  0.0  0.36  1.0
  Rh  Rh5  1  0.0  0.0  0.79  1.0

data_Ba2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.15
_cell_length_b   11.01
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   123.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2Rh
_chemical_formula_sum   'Ba8 Rh4'
_cell_volume   433.74
_cell_formula_units_Z   4
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  4  0.37  0.45  0.42  1.0
  Ba  Ba1  4  0.45  0.05  0.0  1.0
  Rh  Rh2  2  0.14  0.5  0.64  1.0
  Rh  Rh3  2  0.21  0.0  0.21  1.0

Ba Ba Ba Ba Rh Rh
Ba Ba Ba Ba Rh Rh 0 2 o o o 0 5 o o - 1 3 o o o 1 4 o o o 2 5 o o - 3 4 o o o 4 5 o o o 