data_HfMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   56.09
_cell_angle_beta   56.09
_cell_angle_gamma   56.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnO3
_chemical_formula_sum   'Hf2 Mn2 O6'
_cell_volume   120.03
_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
  Hf  Hf0  1  0.0  0.0  0.11  1.0
  Hf  Hf1  1  0.0  0.0  0.28  1.0
  Mn  Mn2  1  0.0  0.0  0.19  1.0
  Mn  Mn3  1  0.0  0.0  0.21  1.0
  O  O4  1  0.13  0.75  0.05  1.0
  O  O5  1  0.92  0.38  0.05  1.0
  O  O6  1  0.95  0.88  0.05  1.0
  O  O7  1  0.05  0.12  0.35  1.0
  O  O8  1  0.08  0.62  0.35  1.0
  O  O9  1  0.87  0.25  0.35  1.0

data_HfMnO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.71
_cell_angle_alpha   61.95
_cell_angle_beta   61.95
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfMnO3
_chemical_formula_sum   'Hf2 Mn2 O6'
_cell_volume   120.03
_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
  Hf  Hf0  2  0.0  0.41  0.09  1.0
  Mn  Mn1  2  0.0  0.49  0.01  1.0
  O  O2  2  0.12  0.65  0.68  1.0
  O  O3  2  0.25  0.65  0.73  1.0
  O  O4  2  0.38  0.35  0.85  1.0

Hf Hf Mn Mn O O O O O O