data_CdIn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.55
_cell_length_b   9.55
_cell_length_c   9.55
_cell_angle_alpha   19.36
_cell_angle_beta   19.36
_cell_angle_gamma   19.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Ru
_chemical_formula_sum   'Cd1 In2 Ru1'
_cell_volume   83.75
_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  0.06  1.0
  In  In1  1  0.0  0.0  0.78  1.0
  In  In2  1  0.0  0.0  0.33  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_CdIn2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdIn2Ru
_chemical_formula_sum   'Cd2 In4 Ru2'
_cell_volume   167.5
_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  0.94  1.0
  In  In1  2  -0.0  0.0  0.67  1.0
  In  In2  2  -0.0  0.0  0.22  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

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