data_CdTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   3.58
_cell_angle_alpha   92.17
_cell_angle_beta   92.17
_cell_angle_gamma   103.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2Ru
_chemical_formula_sum   'Cd1 Te2 Ru1'
_cell_volume   87.36
_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  0.11  0.0  0.0  1.0
  Te  Te2  1  0.45  0.03  0.79  1.0
  Te  Te3  1  0.45  0.97  0.79  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_CdTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   103.27
_cell_angle_beta   92.17
_cell_angle_gamma   92.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2Ru
_chemical_formula_sum   'Cd1 Te2 Ru1'
_cell_volume   87.36
_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  0.11  0.0  1.0
  Te  Te1  1  0.79  0.45  0.03  1.0
  Te  Te2  1  0.79  0.45  0.97  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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