data_Cd2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeRu
_chemical_formula_sum   'Cd2 Te1 Ru1'
_cell_volume   82.77
_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  0.39  0.83  0.72  1.0
  Cd  Cd1  1  0.39  0.17  0.72  1.0
  Te  Te3  1  0.78  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Cd2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   114.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeRu
_chemical_formula_sum   'Cd2 Te1 Ru1'
_cell_volume   82.77
_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  0.72  0.39  0.83  1.0
  Cd  Cd1  1  0.72  0.39  0.17  1.0
  Te  Te2  1  0.0  0.78  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Cd Cd Te Ru
Cd Cd Te Ru 0 1 o + o 0 2 o + + 1 3 o o + 2 3 + o o 