data_Mn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   117.39
_cell_angle_beta   117.39
_cell_angle_gamma   94.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3O4
_chemical_formula_sum   'Mn6 O8'
_cell_volume   163.99
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.58  0.15  1.0
  Mn  Mn2  1  0.0  0.15  0.06  1.0
  Mn  Mn3  1  0.15  0.58  0.03  1.0
  Mn  Mn4  1  0.58  0.0  0.09  1.0
  Mn  Mn5  1  0.58  0.15  0.97  1.0
  O  O6  1  0.0  0.44  0.21  1.0
  O  O7  1  0.15  0.44  0.97  1.0
  O  O8  1  0.44  0.0  0.03  1.0
  O  O9  1  0.71  0.15  0.91  1.0
  O  O10  1  0.71  0.0  0.15  1.0
  O  O11  1  0.6  0.0  0.15  1.0
  O  O12  1  0.15  0.71  0.09  1.0
  O  O13  1  0.15  0.56  0.97  1.0

data_Mn3O4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   94.58
_cell_angle_beta   117.39
_cell_angle_gamma   117.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3O4
_chemical_formula_sum   'Mn6 O8'
_cell_volume   163.99
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.03  0.15  0.58  1.0
  Mn  Mn2  1  0.06  0.0  0.15  1.0
  Mn  Mn3  1  0.09  0.58  0.0  1.0
  Mn  Mn4  1  0.15  0.0  0.58  1.0
  Mn  Mn5  1  0.97  0.58  0.15  1.0
  O  O6  1  0.03  0.44  0.0  1.0
  O  O7  1  0.09  0.15  0.71  1.0
  O  O8  1  0.15  0.6  0.0  1.0
  O  O9  1  0.15  0.71  0.0  1.0
  O  O10  1  0.21  0.0  0.44  1.0
  O  O11  1  0.91  0.71  0.15  1.0
  O  O12  1  0.97  0.15  0.56  1.0
  O  O13  1  0.97  0.15  0.44  1.0

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