data_Y(HO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(HO)3
_chemical_formula_sum   'Y2 H6 O6'
_cell_volume   124.57
_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
  Y  Y0  1  0.0  0.67  0.89  1.0
  Y  Y1  1  0.18  0.84  0.66  1.0
  H  H2  1  0.04  0.77  0.89  1.0
  H  H3  1  0.85  0.75  0.66  1.0
  H  H4  1  0.33  0.76  0.89  1.0
  H  H5  1  0.15  0.74  0.66  1.0
  H  H6  1  0.01  0.54  0.66  1.0
  H  H7  1  0.18  0.98  0.89  1.0
  O  O8  1  0.65  0.8  0.66  1.0
  O  O9  1  0.11  0.47  0.89  1.0
  O  O10  1  0.53  0.72  0.89  1.0
  O  O11  1  0.07  0.04  0.66  1.0
  O  O12  1  0.28  0.19  0.66  1.0
  O  O13  1  0.9  0.32  0.89  1.0

data_Y(HO)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.55
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y(HO)3
_chemical_formula_sum   'Y2 H6 O6'
_cell_volume   124.57
_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
  Y  Y0  2  0.39  0.09  0.58  1.0
  H  H1  2  0.39  0.05  0.48  1.0
  H  H2  2  0.39  0.76  0.49  1.0
  H  H3  2  0.39  0.91  0.28  1.0
  O  O4  2  0.39  0.19  0.93  1.0
  O  O5  2  0.39  0.56  0.54  1.0
  O  O6  2  0.39  0.98  0.78  1.0

Y Y H H H H H H O O O O O O
Y Y H H H H H H O O O O O O 0 2 o o o 0 3 - o o 0 6 o o o 1 5 o o o 1 4 o o o 1 7 o o o 2 3 - o o 2 7 o o o 3 8 o o o 3 11 + + o 4 5 o o o 4 9 o o o 4 10 o o o 5 6 o o o 6 9 o o o 6 13 - o o 7 11 o + o 7 12 o + o 8 10 o o o 9 13 - o o 11 12 o o o 