data_Ba2TaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaRh
_chemical_formula_sum   'Ba2 Ta1 Rh1'
_cell_volume   108.79
_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  0.55  0.41  0.7  1.0
  Ba  Ba1  1  0.55  0.59  0.7  1.0
  Ta  Ta3  1  0.1  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Ba2TaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   118.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaRh
_chemical_formula_sum   'Ba2 Ta1 Rh1'
_cell_volume   108.79
_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  0.7  0.55  0.41  1.0
  Ba  Ba1  1  0.7  0.55  0.59  1.0
  Ta  Ta2  1  0.0  0.1  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Ba Ba Ta Rh