data_HoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoO3
_chemical_formula_sum   'Ho2 O6'
_cell_volume   86.83
_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  0.32  0.34  0.48  1.0
  Ho  Ho1  1  0.0  0.68  0.16  1.0
  O  O2  1  0.26  0.73  0.16  1.0
  O  O3  1  0.39  0.73  0.16  1.0
  O  O4  1  0.32  0.57  0.16  1.0
  O  O5  1  0.07  0.3  0.48  1.0
  O  O6  1  0.93  0.3  0.48  1.0
  O  O7  1  0.0  0.45  0.48  1.0

data_HoO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.64
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoO3
_chemical_formula_sum   'Ho2 O6'
_cell_volume   86.83
_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  0.16  0.16  0.33  1.0
  O  O1  2  0.16  0.77  0.29  1.0
  O  O2  2  0.16  0.84  0.44  1.0
  O  O3  2  0.16  0.9  0.29  1.0

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