data_CdHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   3.02
_cell_angle_alpha   104.68
_cell_angle_beta   104.68
_cell_angle_gamma   117.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHg2Os
_chemical_formula_sum   'Cd1 Hg2 Os1'
_cell_volume   79.28
_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
  Hg  Hg1  1  0.51  0.49  0.0  1.0
  Hg  Hg2  1  0.51  0.51  0.0  1.0
  Os  Os3  1  0.02  0.0  0.0  1.0

data_CdHg2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   11.26
_cell_length_b   3.02
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   117.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdHg2Os
_chemical_formula_sum   'Cd2 Hg4 Os2'
_cell_volume   158.58
_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  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.5  0.51  1.0
  Hg  Hg2  2  0.49  0.0  0.49  1.0
  Os  Os3  2  0.49  0.5  0.0  1.0

Cd Hg Hg Os