data_BaPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   150.21
_cell_angle_beta   141.28
_cell_angle_gamma   49.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPdRu
_chemical_formula_sum   'Ba1 Pd1 Ru1'
_cell_volume   70.24
_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  0.0  0.07  1.0
  Pd  Pd1  1  0.0  0.0  0.94  1.0
  Ru  Ru2  1  0.0  0.0  0.14  1.0

data_BaPdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.04
_cell_length_c   6.1
_cell_angle_alpha   109.36
_cell_angle_beta   104.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPdRu
_chemical_formula_sum   'Ba1 Pd1 Ru1'
_cell_volume   70.24
_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  0.07  0.07  1.0
  Ru  Ru1  1  0.0  0.14  0.14  1.0
  Pd  Pd2  1  0.0  0.94  0.94  1.0

Ba Pd Ru
Ba Pd Ru 0 2 o o o 0 1 o o - 