data_Cd2SiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.94
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiOs
_chemical_formula_sum   'Cd2 Si1 Os1'
_cell_volume   70.55
_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  0.71  0.97  0.32  1.0
  Cd  Cd1  1  0.71  0.97  0.92  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.62  1.0

data_Cd2SiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.94
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiOs
_chemical_formula_sum   'Cd2 Si1 Os1'
_cell_volume   70.55
_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  0.71  0.97  0.32  1.0
  Cd  Cd1  1  0.71  0.97  0.92  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.62  1.0

Cd Cd Si Os
Cd Cd Si Os 0 2 + + o 0 1 o o - 0 3 + + o 1 2 + + + 1 3 + + o 2 3 o o - 