data_BaPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.89
_cell_angle_alpha   105.03
_cell_angle_beta   105.03
_cell_angle_gamma   51.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPdRu2
_chemical_formula_sum   'Ba1 Pd1 Ru2'
_cell_volume   100.49
_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  0.47  0.0  0.82  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.93  0.0  0.27  1.0
  Ru  Ru3  1  0.0  0.0  0.37  1.0

data_BaPdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.78
_cell_length_c   5.89
_cell_angle_alpha   105.03
_cell_angle_beta   90.0
_cell_angle_gamma   115.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPdRu2
_chemical_formula_sum   'Ba1 Pd1 Ru2'
_cell_volume   100.49
_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  0.53  0.18  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.07  0.73  1.0
  Ru  Ru3  1  0.0  1.0  0.63  1.0

Ba Pd Ru Ru