data_CdB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdB2Ru
_chemical_formula_sum   'Cd1 B2 Ru1'
_cell_volume   48.16
_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  0.44  0.44  0.72  1.0
  B  B0  1  0.44  0.44  0.04  1.0
  B  B1  1  0.0  0.0  0.05  1.0
  Ru  Ru3  1  0.0  0.0  0.94  1.0

data_CdB2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdB2Ru
_chemical_formula_sum   'Cd2 B4 Ru2'
_cell_volume   96.33
_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  0.44  0.0  0.72  1.0
  B  B1  2  0.0  0.0  0.05  1.0
  B  B2  2  0.44  0.0  0.04  1.0
  Ru  Ru3  2  0.0  0.0  0.94  1.0

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