data_MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.49
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnO2
_chemical_formula_sum   'Mn2 O4'
_cell_volume   58.19
_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  0.21  0.24  0.46  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  O  O2  1  0.31  0.07  0.0  1.0
  O  O3  1  0.9  0.83  0.46  1.0
  O  O4  1  0.52  0.66  0.46  1.0
  O  O5  1  0.12  0.42  0.0  1.0

data_MnO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.43
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnO2
_chemical_formula_sum   'Mn2 O4'
_cell_volume   58.19
_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  0.46  0.21  0.24  1.0
  O  O2  1  -0.0  0.12  0.42  1.0
  O  O3  1  -0.0  0.31  0.07  1.0
  O  O4  1  0.46  0.52  0.66  1.0
  O  O5  1  0.46  0.9  0.83  1.0

Mn Mn O O O O