# generated using pymatgen
data_MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81891633
_cell_length_b   5.81775162
_cell_length_c   17.51616830
_cell_angle_alpha   59.97740292
_cell_angle_beta   60.23883184
_cell_angle_gamma   59.96994106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnO2
_chemical_formula_sum   'Mn12 O24'
_cell_volume   419.88038733
_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  0.49418800  0.49421200  0.16808900  1.0
  Mn  Mn1  1  0.00191900  0.50115000  0.49887700  1.0
  Mn  Mn2  1  0.50171500  0.50007400  0.33231600  1.0
  Mn  Mn3  1  0.49404600  0.00911900  0.16744900  1.0
  Mn  Mn4  1  0.50085300  0.50094900  0.49898300  1.0
  Mn  Mn5  1  0.00486900  0.49423400  0.16878900  1.0
  Mn  Mn6  1  0.50241700  0.50485100  0.66384400  1.0
  Mn  Mn7  1  0.50089500  0.00225700  0.49884700  1.0
  Mn  Mn8  1  0.50226000  0.50213200  0.83107300  1.0
  Mn  Mn9  1  0.50201800  0.00512600  0.83014400  1.0
  Mn  Mn10  1  0.00158600  0.50236900  0.83102700  1.0
  Mn  Mn11  1  0.88157600  0.87245000  0.95512300  1.0
  O  O12  1  0.23825800  0.23818500  0.10412000  1.0
  O  O13  1  0.23843500  0.71210700  0.10343100  1.0
  O  O14  1  0.26105900  0.26040600  0.23929200  1.0
  O  O15  1  0.71073100  0.23772800  0.10430300  1.0
  O  O16  1  0.26380900  0.26458500  0.42204100  1.0
  O  O17  1  0.29767200  0.73162000  0.24598000  1.0
  O  O18  1  0.73628200  0.74051800  0.09473200  1.0
  O  O19  1  0.73295300  0.29610600  0.24608200  1.0
  O  O20  1  0.26506100  0.70515300  0.42162100  1.0
  O  O21  1  0.26676900  0.26582600  0.56726000  1.0
  O  O22  1  0.70591000  0.26387000  0.42235200  1.0
  O  O23  1  0.73286500  0.73145500  0.24610500  1.0
  O  O24  1  0.26722900  0.26869600  0.75253700  1.0
  O  O25  1  0.29603900  0.73680900  0.57725500  1.0
  O  O26  1  0.73479000  0.73616600  0.43128500  1.0
  O  O27  1  0.73538300  0.29714400  0.57793500  1.0
  O  O28  1  0.26744500  0.26609500  0.89967900  1.0
  O  O29  1  0.26655400  0.70723000  0.75310600  1.0
  O  O30  1  0.70667500  0.26748700  0.75315300  1.0
  O  O31  1  0.73657200  0.73635900  0.57736100  1.0
  O  O32  1  0.28214800  0.75455800  0.90236500  1.0
  O  O33  1  0.75783400  0.28224000  0.90109300  1.0
  O  O34  1  0.73401700  0.73638200  0.76466200  1.0
  O  O35  1  0.75556700  0.75275100  0.90258700  1.0