data_CdGa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.44
_cell_angle_alpha   108.58
_cell_angle_beta   108.58
_cell_angle_gamma   39.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Ru
_chemical_formula_sum   'Cd1 Ga2 Ru1'
_cell_volume   66.35
_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  0.77  0.0  0.92  1.0
  Ga  Ga1  1  0.32  0.0  0.07  1.0
  Ga  Ga2  1  0.19  0.0  0.86  1.0
  Ru  Ru3  1  0.95  0.0  0.43  1.0

data_CdGa2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.44
_cell_length_c   4.99
_cell_angle_alpha   108.58
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Ru
_chemical_formula_sum   'Cd1 Ga2 Ru1'
_cell_volume   66.35
_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  0.92  0.77  1.0
  Ga  Ga1  1  0.0  0.07  0.32  1.0
  Ga  Ga2  1  0.0  0.86  0.19  1.0
  Ru  Ru3  1  0.0  0.43  0.95  1.0

Cd Ga Ga Ru