data_CdAg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Ru
_chemical_formula_sum   'Cd1 Ag2 Ru1'
_cell_volume   69.82
_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  Cd2  1  0.0  0.0  0.31  1.0
  Ag  Ag0  1  0.42  0.42  0.05  1.0
  Ag  Ag1  1  0.42  0.42  0.56  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_CdAg2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdAg2Ru
_chemical_formula_sum   'Cd2 Ag4 Ru2'
_cell_volume   139.65
_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  0.31  1.0
  Ag  Ag1  2  0.42  0.0  0.05  1.0
  Ag  Ag2  2  0.42  0.0  0.56  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

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