data_Ba2NbRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   3.93
_cell_angle_alpha   97.39
_cell_angle_beta   97.39
_cell_angle_gamma   22.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbRh
_chemical_formula_sum   'Ba2 Nb1 Rh1'
_cell_volume   125.58
_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  0.01  0.0  0.57  1.0
  Ba  Ba1  1  0.46  0.0  0.33  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.73  0.0  0.95  1.0

data_Ba2NbRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.93
_cell_length_c   9.17
_cell_angle_alpha   97.39
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbRh
_chemical_formula_sum   'Ba2 Nb1 Rh1'
_cell_volume   125.58
_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  0.33  0.46  1.0
  Ba  Ba1  1  0.0  0.57  0.01  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.95  0.73  1.0

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