data_Cd2SnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   133.38
_cell_angle_beta   131.63
_cell_angle_gamma   69.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnRu
_chemical_formula_sum   'Cd2 Sn1 Ru1'
_cell_volume   76.5
_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  0.58  1.0
  Cd  Cd1  1  0.07  0.0  0.16  1.0
  Sn  Sn3  1  0.0  0.15  0.1  1.0
  Ru  Ru2  1  0.0  0.0  0.37  1.0

data_Cd2SnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.29
_cell_length_c   5.24
_cell_angle_alpha   114.19
_cell_angle_beta   113.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnRu
_chemical_formula_sum   'Cd2 Sn1 Ru1'
_cell_volume   76.5
_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  0.42  0.42  0.42  1.0
  Cd  Cd1  1  0.91  0.84  0.91  1.0
  Sn  Sn2  1  0.9  0.05  0.05  1.0
  Ru  Ru3  1  0.63  0.63  0.63  1.0

Cd Cd Sn Ru
Cd Cd Sn Ru 0 3 o o o 1 2 o o o 