data_CdOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdOs3
_chemical_formula_sum   'Cd2 Os6'
_cell_volume   124.18
_cell_formula_units_Z   2
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  0.83  0.63  0.36  1.0
  Cd  Cd1  1  0.0  0.27  0.12  1.0
  Os  Os2  1  0.0  0.64  0.36  1.0
  Os  Os3  1  0.83  0.26  0.12  1.0
  Os  Os4  1  0.41  0.08  0.36  1.0
  Os  Os5  1  0.42  0.82  0.12  1.0
  Os  Os6  1  0.59  0.08  0.36  1.0
  Os  Os7  1  0.24  0.82  0.12  1.0

data_CdOs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.48
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdOs3
_chemical_formula_sum   'Cd2 Os6'
_cell_volume   124.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.41  0.18  1.0
  Os  Os1  2  0.12  0.17  0.63  1.0
  Os  Os2  2  0.12  0.59  0.19  1.0
  Os  Os3  2  0.12  1.0  0.63  1.0

Cd Cd Os Os Os Os Os Os
Cd Cd Os Os Os Os Os Os 0 2 + o o 1 3 - o o 4 6 o o o 5 7 o o o 