data_HoHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   3.65
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoHO2
_chemical_formula_sum   'Ho2 H2 O4'
_cell_volume   88.67
_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
  Ho  Ho0  1  0.21  0.73  0.76  1.0
  Ho  Ho1  1  0.03  0.91  0.89  1.0
  H  H2  1  0.19  0.73  0.11  1.0
  H  H3  1  0.05  0.91  0.54  1.0
  O  O4  1  0.08  0.73  0.55  1.0
  O  O5  1  0.17  0.91  0.1  1.0
  O  O6  1  0.15  0.73  0.27  1.0
  O  O7  1  0.09  0.91  0.38  1.0

data_HoHO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.65
_cell_length_b   4.3
_cell_length_c   6.01
_cell_angle_alpha   110.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoHO2
_chemical_formula_sum   'Ho2 H2 O4'
_cell_volume   88.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ho  Ho0  2  0.09  0.41  0.07  1.0
  H  H1  2  0.09  0.43  0.72  1.0
  O  O2  2  0.09  0.47  0.56  1.0
  O  O3  2  0.09  0.55  0.28  1.0

Ho Ho H H O O O O
Ho Ho H H O O O O 0 4 o o o 0 3 o o o 0 1 o o o 1 2 o o + 1 5 o o + 2 5 o o o 2 6 o o o 3 4 o o o 3 7 o o o 4 7 o o o 5 6 o o o 6 7 o o o 