data_CdGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   9.31
_cell_angle_alpha   17.61
_cell_angle_beta   17.61
_cell_angle_gamma   17.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaRu2
_chemical_formula_sum   'Cd1 Ga1 Ru2'
_cell_volume   64.43
_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  0.67  1.0
  Ga  Ga1  1  0.0  0.0  0.11  1.0
  Ru  Ru2  1  0.0  0.0  0.06  1.0
  Ru  Ru3  1  0.0  0.0  0.4  1.0

data_CdGaRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   2.85
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdGaRu2
_chemical_formula_sum   'Cd2 Ga2 Ru4'
_cell_volume   128.86
_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  0.0  0.0  0.33  1.0
  Ga  Ga1  2  0.0  0.0  0.89  1.0
  Ru  Ru2  2  0.0  0.0  0.6  1.0
  Ru  Ru3  2  0.0  0.0  0.94  1.0

Cd Ga Ru Ru
Cd Ga Ru Ru 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 