data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   4.78
_cell_angle_alpha   105.86
_cell_angle_beta   105.86
_cell_angle_gamma   54.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHO2
_chemical_formula_sum   'Mn1 H1 O2'
_cell_volume   38.88
_cell_formula_units_Z   1
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  Mn0  1  0.4  0.0  0.08  1.0
  H  H1  1  0.54  0.0  0.51  1.0
  O  O2  1  0.62  0.0  0.57  1.0
  O  O3  1  0.47  0.0  0.05  1.0

data_MnHO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.24
_cell_length_c   4.78
_cell_angle_alpha   105.86
_cell_angle_beta   90.0
_cell_angle_gamma   117.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHO2
_chemical_formula_sum   'Mn1 H1 O2'
_cell_volume   38.88
_cell_formula_units_Z   1
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  Mn0  1  0.0  0.6  0.92  1.0
  H  H1  1  0.0  0.46  0.49  1.0
  O  O2  1  0.0  0.38  0.43  1.0
  O  O3  1  0.0  0.53  0.95  1.0

Mn H O O
Mn H O O 0 3 o o o 1 2 o o o 