# generated using pymatgen
data_MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82339322
_cell_length_b   5.81551632
_cell_length_c   17.79260414
_cell_angle_alpha   60.58305859
_cell_angle_beta   60.66745750
_cell_angle_gamma   59.95702945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnO2
_chemical_formula_sum   'Mn12 O24'
_cell_volume   429.91739615
_cell_formula_units_Z   12
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  0.49427200  0.49614400  0.16706800  1.0
  Mn  Mn1  1  0.49368000  0.00413700  0.16838000  1.0
  Mn  Mn2  1  0.49423100  0.49551800  0.50145200  1.0
  Mn  Mn3  1  0.00841100  0.49750700  0.16669400  1.0
  Mn  Mn4  1  0.49344400  0.00705300  0.50117800  1.0
  Mn  Mn5  1  0.50102200  0.50399800  0.66370400  1.0
  Mn  Mn6  1  0.87625800  0.87792400  0.28941600  1.0
  Mn  Mn7  1  0.50449300  0.50462600  0.82812700  1.0
  Mn  Mn8  1  0.00248900  0.49623100  0.50200800  1.0
  Mn  Mn9  1  0.50473100  0.00575900  0.82856400  1.0
  Mn  Mn10  1  0.00564300  0.50469700  0.82858400  1.0
  Mn  Mn11  1  0.88013300  0.87777000  0.95569800  1.0
  O  O12  1  0.24749000  0.24905600  0.10094200  1.0
  O  O13  1  0.26061000  0.26228000  0.23841600  1.0
  O  O14  1  0.24440700  0.70557700  0.10176900  1.0
  O  O15  1  0.69817500  0.24912400  0.10070200  1.0
  O  O16  1  0.24545600  0.24976100  0.43362200  1.0
  O  O17  1  0.28421300  0.74778200  0.23951700  1.0
  O  O18  1  0.26135900  0.26364700  0.57054900  1.0
  O  O19  1  0.74992500  0.28382600  0.23862900  1.0
  O  O20  1  0.73604100  0.73746400  0.09630500  1.0
  O  O21  1  0.24664900  0.70322300  0.43355400  1.0
  O  O22  1  0.70728800  0.24373100  0.43497300  1.0
  O  O23  1  0.74759400  0.74865200  0.23937500  1.0
  O  O24  1  0.26750400  0.26766800  0.75236200  1.0
  O  O25  1  0.29522400  0.73599400  0.57756500  1.0
  O  O26  1  0.73309300  0.29689600  0.57822500  1.0
  O  O27  1  0.27056200  0.27065800  0.89635300  1.0
  O  O28  1  0.73597900  0.73806600  0.42922900  1.0
  O  O29  1  0.26737800  0.70844100  0.75218800  1.0
  O  O30  1  0.70723300  0.26865700  0.75202800  1.0
  O  O31  1  0.73207300  0.73602300  0.57818600  1.0
  O  O32  1  0.28811000  0.75637700  0.90001600  1.0
  O  O33  1  0.75792400  0.28636200  0.89958300  1.0
  O  O34  1  0.73662400  0.73696100  0.76333100  1.0
  O  O35  1  0.75857000  0.75802400  0.89922100  1.0