data_Cd2SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   5.49
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnOs
_chemical_formula_sum   'Cd2 Sn1 Os1'
_cell_volume   79.69
_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  0.77  0.75  0.21  1.0
  Cd  Cd1  1  0.21  0.75  0.54  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.49  0.0  0.38  1.0

data_Cd2SnOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.76
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnOs
_chemical_formula_sum   'Cd2 Sn1 Os1'
_cell_volume   79.69
_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  0.23  0.79  0.25  1.0
  Cd  Cd1  1  0.79  0.46  0.25  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.51  0.62  0.0  1.0

Cd Cd Sn Os
Cd Cd Sn Os 0 3 o + o 0 2 + + o 0 1 + o o 1 3 o + o 