data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   6.41
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   94.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHO2
_chemical_formula_sum   'Mn4 H4 O8'
_cell_volume   198.1
_cell_formula_units_Z   4
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
  Mn  Mn4  1  0.4  0.71  0.91  1.0
  Mn  Mn5  1  0.85  0.91  0.05  1.0
  Mn  Mn6  1  0.04  0.7  0.4  1.0
  Mn  Mn7  1  0.59  0.49  0.25  1.0
  H  H0  1  0.47  0.24  0.18  1.0
  H  H1  1  0.78  0.03  0.79  1.0
  H  H2  1  0.97  0.17  0.13  1.0
  H  H3  1  0.66  0.37  0.52  1.0
  O  O8  1  0.51  0.52  0.09  1.0
  O  O9  1  0.13  0.73  0.57  1.0
  O  O10  1  0.94  0.88  0.22  1.0
  O  O11  1  0.32  0.68  0.74  1.0
  O  O12  1  0.92  0.44  0.1  1.0
  O  O13  1  0.33  0.24  0.87  1.0
  O  O14  1  0.52  0.97  0.21  1.0
  O  O15  1  0.11  0.17  0.44  1.0

data_MnHO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.32
_cell_length_b   5.82
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.11
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnHO2
_chemical_formula_sum   'Mn4 H4 O8'
_cell_volume   198.1
_cell_formula_units_Z   4
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
  Mn  Mn0  2  0.1  0.37  0.29  1.0
  Mn  Mn1  2  0.25  0.82  0.49  1.0
  H  H2  2  0.02  0.25  0.03  1.0
  H  H3  2  0.37  0.44  0.17  1.0
  O  O4  2  0.06  0.3  0.76  1.0
  O  O5  2  0.07  0.71  0.68  1.0
  O  O6  2  0.29  0.89  0.97  1.0
  O  O7  2  0.41  0.9  0.52  1.0

Mn Mn Mn Mn H H H H O O O O O O O O
Mn Mn Mn Mn H H H H O O O O O O O O 0 11 o o o 1 10 o o o 1 5 o + - 1 6 o + o 1 14 o o o 2 9 o o o 3 8 o o o 3 4 o o o 3 7 o o o 3 12 o o o 4 13 o o - 4 14 o - o 4 8 o o o 6 10 o - o 6 12 o o o 6 15 + o o 