data_Mn3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3O
_chemical_formula_sum   'Mn6 O2'
_cell_volume   117.15
_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
  Mn  Mn0  1  0.04  0.79  0.15  1.0
  Mn  Mn1  1  0.38  0.79  0.15  1.0
  Mn  Mn2  1  0.71  0.1  0.15  1.0
  Mn  Mn3  1  0.67  0.89  0.46  1.0
  Mn  Mn4  1  0.33  0.89  0.46  1.0
  Mn  Mn5  1  0.0  0.59  0.46  1.0
  O  O6  1  0.71  0.56  0.46  1.0
  O  O7  1  0.0  0.13  0.15  1.0

data_Mn3O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.61
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mn3O
_chemical_formula_sum   'Mn6 O2'
_cell_volume   117.15
_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
  Mn  Mn0  2  0.15  0.32  0.55  1.0
  Mn  Mn1  2  0.15  0.65  0.24  1.0
  Mn  Mn2  2  0.15  0.98  0.55  1.0
  O  O3  2  0.15  0.35  0.22  1.0

Mn Mn Mn Mn Mn Mn O O