# generated using pymatgen
data_Mn21O40
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16554928
_cell_length_b   10.16554928
_cell_length_c   10.16554928
_cell_angle_alpha   99.71783926
_cell_angle_beta   99.71783926
_cell_angle_gamma   131.48373824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn21O40
_chemical_formula_sum   'Mn21 O40'
_cell_volume   717.48273415
_cell_formula_units_Z   1
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  0.77740400  0.82870300  0.35506500  1.0
  Mn  Mn1  1  0.17386300  0.02351500  0.44869600  1.0
  Mn  Mn2  1  0.97975200  0.92932200  0.15137500  1.0
  Mn  Mn3  1  0.77794700  0.82837700  0.84862500  1.0
  Mn  Mn4  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn5  1  0.17162300  0.02024800  0.94957000  1.0
  Mn  Mn6  1  0.47363800  0.42233900  0.64493500  1.0
  Mn  Mn7  1  0.87894600  0.62482400  0.25303300  1.0
  Mn  Mn8  1  0.37408700  0.12105400  0.74587800  1.0
  Mn  Mn9  1  0.57766100  0.22259600  0.05129900  1.0
  Mn  Mn10  1  0.77552500  0.32426300  0.35052300  1.0
  Mn  Mn11  1  0.67573700  0.02625900  0.45126200  1.0
  Mn  Mn12  1  0.57499700  0.22447500  0.54873800  1.0
  Mn  Mn13  1  0.27483200  0.82613700  0.84965200  1.0
  Mn  Mn14  1  0.97648500  0.42518000  0.15034800  1.0
  Mn  Mn15  1  0.17129700  0.52636200  0.94870100  1.0
  Mn  Mn16  1  0.37517600  0.62820900  0.25412200  1.0
  Mn  Mn17  1  0.97374100  0.42500300  0.64947700  1.0
  Mn  Mn18  1  0.37179100  0.62591300  0.74696700  1.0
  Mn  Mn19  1  0.07067800  0.22205300  0.05043000  1.0
  Mn  Mn20  1  0.57482000  0.72516800  0.55130400  1.0
  O  O21  1  0.53524000  0.60430100  0.35638300  1.0
  O  O22  1  0.01560800  0.04747000  0.34516500  1.0
  O  O23  1  0.84454800  0.97636300  0.04392500  1.0
  O  O24  1  0.19937700  0.15545200  0.13181400  1.0
  O  O25  1  0.02363700  0.06756300  0.86818600  1.0
  O  O26  1  0.93026500  0.78583200  0.43315300  1.0
  O  O27  1  0.35267800  0.49711200  0.56684700  1.0
  O  O28  1  0.52712900  0.58348000  0.83048400  1.0
  O  O29  1  0.75299600  0.69664500  0.16951600  1.0
  O  O30  1  0.42006800  0.26332900  0.46543300  1.0
  O  O31  1  0.10365800  0.87096400  0.25657300  1.0
  O  O32  1  0.70230500  0.67044400  0.65483500  1.0
  O  O33  1  0.93243700  0.80062300  0.95607500  1.0
  O  O34  1  0.24791800  0.17885700  0.64361700  1.0
  O  O35  1  0.81433200  0.44652300  0.54347600  1.0
  O  O36  1  0.41652000  0.24700400  0.94365000  1.0
  O  O37  1  0.64778600  0.37837500  0.24369400  1.0
  O  O38  1  0.55347700  0.09695300  0.36780800  1.0
  O  O39  1  0.59590700  0.35221400  0.73058900  1.0
  O  O40  1  0.82114300  0.46476000  0.06906100  1.0
  O  O41  1  0.99874400  0.55266500  0.33359700  1.0
  O  O42  1  0.32955600  0.98439200  0.03186200  1.0
  O  O43  1  0.15291400  0.89634200  0.76730600  1.0
  O  O44  1  0.90304700  0.27085500  0.45652400  1.0
  O  O45  1  0.33485300  0.00125600  0.55392200  1.0
  O  O46  1  0.50288800  0.06973500  0.85556600  1.0
  O  O47  1  0.73667100  0.20210500  0.15673900  1.0
  O  O48  1  0.21416800  0.64732200  0.14443400  1.0
  O  O49  1  0.44733500  0.78093200  0.44607800  1.0
  O  O50  1  0.04536500  0.57993200  0.84326100  1.0
  O  O51  1  0.72914500  0.18566800  0.63219200  1.0
  O  O52  1  0.12903600  0.38560900  0.23269400  1.0
  O  O53  1  0.21906800  0.66514700  0.66640300  1.0
  O  O54  1  0.39569900  0.75208200  0.93093900  1.0
  O  O55  1  0.95253000  0.29769500  0.96813800  1.0
  O  O56  1  0.62162500  0.86531800  0.26941100  1.0
  O  O57  1  0.79789500  0.95463500  0.53456700  1.0
  O  O58  1  0.30335500  0.47287100  0.05635000  1.0
  O  O59  1  0.13468200  0.40409300  0.75630600  1.0
  O  O60  1  0.61439100  0.84708600  0.74342700  1.0