data_ZnCdOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdOs2
_chemical_formula_sum   'Zn1 Cd1 Os2'
_cell_volume   62.55
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.67  1.0
  Os  Os1  1  0.43  0.0  0.16  1.0
  Os  Os2  1  0.43  0.0  0.18  1.0

data_ZnCdOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdOs2
_chemical_formula_sum   'Zn1 Cd1 Os2'
_cell_volume   62.55
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.67  1.0
  Os  Os2  1  0.43  0.0  0.16  1.0
  Os  Os3  1  0.43  0.0  0.18  1.0

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