data_Cd2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   133.75
_cell_angle_beta   133.75
_cell_angle_gamma   67.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgOs
_chemical_formula_sum   'Cd2 Hg1 Os1'
_cell_volume   75.6
_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  0.07  0.0  0.2  1.0
  Cd  Cd1  1  0.0  0.07  0.2  1.0
  Hg  Hg2  1  0.0  0.0  0.39  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Cd2HgOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   123.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2HgOs
_chemical_formula_sum   'Cd4 Hg2 Os2'
_cell_volume   151.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.34  0.46  0.88  1.0
  Hg  Hg1  2  0.11  0.5  0.61  1.0
  Os  Os2  2  0.0  0.0  0.0  1.0

Cd Cd Hg Os