data_Cd(HO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(HO)2
_chemical_formula_sum   'Cd1 H2 O2'
_cell_volume   52.31
_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
  H  H1  1  0.79  0.04  0.6  1.0
  H  H2  1  0.0  0.07  0.09  1.0
  O  O3  1  0.79  0.04  0.58  1.0
  O  O4  1  0.0  0.07  0.11  1.0

data_Cd(HO)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(HO)2
_chemical_formula_sum   'Cd1 H2 O2'
_cell_volume   52.31
_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
  H  H1  1  -0.0  0.07  0.09  1.0
  H  H2  1  0.79  0.04  0.6  1.0
  O  O3  1  -0.0  0.07  0.11  1.0
  O  O4  1  0.79  0.04  0.58  1.0

Cd H H O O