data_CdOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   154.89
_cell_angle_beta   138.59
_cell_angle_gamma   49.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdOsCl2
_chemical_formula_sum   'Cd1 Os1 Cl2'
_cell_volume   93.73
_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  0.0  1.0
  Os  Os3  1  0.0  0.0  0.32  1.0
  Cl  Cl1  1  0.0  0.46  0.9  1.0
  Cl  Cl2  1  0.51  0.0  0.42  1.0

data_CdOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.91
_cell_length_c   6.95
_cell_angle_alpha   110.7
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdOsCl2
_chemical_formula_sum   'Cd1 Os1 Cl2'
_cell_volume   93.73
_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  0.0  1.0
  Os  Os1  1  0.68  0.68  0.68  1.0
  Cl  Cl2  1  0.09  0.58  0.09  1.0
  Cl  Cl3  1  0.1  0.56  0.56  1.0

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