data_CrPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   130.58
_cell_angle_beta   130.58
_cell_angle_gamma   72.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPdRu2
_chemical_formula_sum   'Cr1 Pd1 Ru2'
_cell_volume   54.84
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.71  1.0
  Ru  Ru2  1  0.0  0.92  0.85  1.0
  Ru  Ru3  1  0.92  0.0  0.85  1.0

data_CrPdRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   126.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrPdRu2
_chemical_formula_sum   'Cr2 Pd2 Ru4'
_cell_volume   109.68
_cell_formula_units_Z   2
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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  4  0.11  0.04  0.07  1.0
  Pd  Pd2  2  0.29  0.0  0.29  1.0

Cr Pd Ru Ru
Cr Pd Ru Ru 0 3 - o - 0 2 o - - 1 3 - o o 1 2 o - o 2 3 - + o 