data_CdGe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.29
_cell_angle_alpha   98.33
_cell_angle_beta   98.33
_cell_angle_gamma   40.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGe2Os
_chemical_formula_sum   'Cd1 Ge2 Os1'
_cell_volume   70.41
_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
  Ge  Ge1  1  0.39  0.0  0.67  1.0
  Ge  Ge2  1  0.31  0.0  0.56  1.0
  Os  Os3  1  0.85  0.0  0.61  1.0

data_CdGe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.54
_cell_length_c   5.29
_cell_angle_alpha   98.33
_cell_angle_beta   90.0
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGe2Os
_chemical_formula_sum   'Cd1 Ge2 Os1'
_cell_volume   70.41
_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
  Ge  Ge1  1  0.0  0.61  0.33  1.0
  Ge  Ge2  1  0.0  0.69  0.44  1.0
  Os  Os3  1  0.0  0.15  0.39  1.0

Cd Ge Ge Os
Cd Ge Ge Os 0 3 - o - 1 2 o o o 1 3 o o o 1 3 - o o 2 3 o o o 2 3 - o o 