data_CdCuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   136.45
_cell_angle_beta   136.45
_cell_angle_gamma   63.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuRu2
_chemical_formula_sum   'Cd1 Cu1 Ru2'
_cell_volume   60.26
_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
  Cd  Cd0  1  0.0  0.0  0.3  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.87  0.0  0.15  1.0
  Ru  Ru3  1  0.0  0.87  0.15  1.0

data_CdCuRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   121.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCuRu2
_chemical_formula_sum   'Cd2 Cu2 Ru4'
_cell_volume   120.51
_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
  Cd  Cd0  2  0.2  0.5  0.7  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  4  0.29  0.44  0.72  1.0

Cd Cu Ru Ru
Cd Cu Ru Ru 0 2 - o o 0 3 o - o 0 1 o o o 1 2 - o o 1 3 o - o 