data_CsHO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   139.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsHO
_chemical_formula_sum   'Cs2 H2 O2'
_cell_volume   123.32
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.24  0.65  0.37  1.0
  Cs  Cs1  1  0.24  0.35  0.1  1.0
  H  H2  1  0.24  0.41  0.81  1.0
  H  H3  1  0.24  0.59  0.53  1.0
  O  O4  1  0.24  0.65  0.42  1.0
  O  O5  1  0.24  0.35  0.14  1.0

data_CsHO
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.55
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   110.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsHO
_chemical_formula_sum   'Cs2 H2 O2'
_cell_volume   123.32
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.35  0.9  0.11  1.0
  Cs  Cs1  1  0.65  0.63  0.41  1.0
  H  H2  1  0.41  0.19  0.17  1.0
  H  H3  1  0.59  0.47  0.34  1.0
  O  O4  1  0.35  0.86  0.11  1.0
  O  O5  1  0.65  0.58  0.4  1.0

Cs Cs H H O O