data_CdHgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.01
_cell_angle_alpha   99.74
_cell_angle_beta   99.74
_cell_angle_gamma   33.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgOs2
_chemical_formula_sum   'Cd1 Hg1 Os2'
_cell_volume   68.86
_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  0.4  0.0  0.46  1.0
  Os  Os2  1  0.75  0.0  0.82  1.0
  Os  Os3  1  0.04  0.0  0.1  1.0

data_CdHgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.01
_cell_length_c   5.05
_cell_angle_alpha   99.74
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgOs2
_chemical_formula_sum   'Cd1 Hg1 Os2'
_cell_volume   68.86
_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  0.0  0.46  0.4  1.0
  Os  Os2  1  0.0  0.1  0.04  1.0
  Os  Os3  1  0.0  0.82  0.75  1.0

Cd Hg Os Os