# generated using pymatgen
data_Li16Mn15(CuO12)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25496597
_cell_length_b   8.62962285
_cell_length_c   10.27798387
_cell_angle_alpha   91.49270080
_cell_angle_beta   94.44451093
_cell_angle_gamma   62.55851978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li16Mn15(CuO12)3
_chemical_formula_sum   'Li16 Mn15 Cu3 O36'
_cell_volume   726.27361193
_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
  Li  Li0  1  0.89389000  0.89987400  0.22623800  1
  Li  Li1  1  0.77522700  0.76685500  0.78180000  1
  Li  Li2  1  0.89644500  0.54789000  0.23067200  1
  Li  Li3  1  0.54447300  0.89373700  0.22189800  1
  Li  Li4  1  0.45190700  0.74751400  0.77655000  1
  Li  Li5  1  0.76857200  0.43995500  0.78434200  1
  Li  Li6  1  0.55510300  0.55655200  0.22316600  1
  Li  Li7  1  0.21034900  0.91417300  0.21376400  1
  Li  Li8  1  0.90851000  0.22612000  0.22308700  1
  Li  Li9  1  0.77595500  0.11743300  0.77778200  1
  Li  Li10  1  0.12978500  0.77032800  0.77676500  1
  Li  Li11  1  0.54840400  0.22742000  0.21915200  1
  Li  Li12  1  0.21952100  0.54418700  0.22217300  1
  Li  Li13  1  0.12374000  0.43967200  0.78037600  1
  Li  Li14  1  0.44285100  0.12011400  0.77037600  1
  Li  Li15  1  0.11579000  0.10854300  0.77857200  1
  Mn  Mn16  1  0.83555100  0.83112800  0.50856900  1
  Mn  Mn17  1  0.33835800  0.99763200  0.99705700  1
  Mn  Mn18  1  0.00390900  0.33386000  0.99784600  1
  Mn  Mn19  1  0.83573500  0.49777200  0.50942300  1
  Mn  Mn20  1  0.49585400  0.83630600  0.49241200  1
  Mn  Mn21  1  0.33105400  0.66799500  0.00297100  1
  Mn  Mn22  1  0.66548800  0.33193000  0.00399400  1
  Mn  Mn23  1  0.16575400  0.83344200  0.49927300  1
  Mn  Mn24  1  0.49599000  0.50150200  0.49654300  1
  Mn  Mn25  1  0.83527600  0.16486700  0.50662000  1
  Mn  Mn26  1  0.99390300  0.67217800  0.00439100  1
  Mn  Mn27  1  0.67232200  0.99531400  0.99662700  1
  Mn  Mn28  1  0.49326200  0.17107600  0.48797500  1
  Mn  Mn29  1  0.16696800  0.49851200  0.49913100  1
  Mn  Mn30  1  0.16558600  0.16826600  0.49528000  1
  Cu  Cu31  1  0.67048000  0.66096600  0.00365200  1
  Cu  Cu32  1  0.33438900  0.33296300  0.00000900  1
  Cu  Cu33  1  0.99639400  0.00552800  0.99765300  1
  O  O34  1  0.94096300  0.94222900  0.40979400  1
  O  O35  1  0.87597100  0.89003200  0.89844500  1
  O  O36  1  0.78778300  0.77790000  0.10403200  1
  O  O37  1  0.58977000  0.95250200  0.39203700  1
  O  O38  1  0.93835100  0.61019100  0.41105300  1
  O  O39  1  0.74132300  0.71417400  0.60695300  1
  O  O40  1  0.57866500  0.87751200  0.88333500  1
  O  O41  1  0.91878700  0.54077700  0.88272000  1
  O  O42  1  0.41429100  0.79847400  0.11848600  1
  O  O43  1  0.76079800  0.44773600  0.12226000  1
  O  O44  1  0.93990000  0.27675500  0.40888600  1
  O  O45  1  0.23852000  0.95945500  0.39244000  1
  O  O46  1  0.58863200  0.61998300  0.39650700  1
  O  O47  1  0.38940100  0.72664600  0.58987100  1
  O  O48  1  0.74396200  0.37941300  0.60677600  1
  O  O49  1  0.90889600  0.21701800  0.88047000  1
  O  O50  1  0.25535600  0.86647900  0.88142400  1
  O  O51  1  0.57192700  0.54052600  0.89516600  1
  O  O52  1  0.42053800  0.46072400  0.11550900  1
  O  O53  1  0.74993300  0.12477300  0.11898800  1
  O  O54  1  0.08506100  0.79173500  0.11578900  1
  O  O55  1  0.23894200  0.62762900  0.39355800  1
  O  O56  1  0.58838800  0.28873000  0.39338400  1
  O  O57  1  0.38740800  0.38933800  0.58512300  1
  O  O58  1  0.74376700  0.04684600  0.60551100  1
  O  O59  1  0.09118500  0.70701800  0.60693300  1
  O  O60  1  0.19082900  0.57953700  0.90786400  1
  O  O61  1  0.58873500  0.19622700  0.88869500  1
  O  O62  1  0.07651400  0.47242900  0.11245300  1
  O  O63  1  0.47622000  0.08809400  0.09323800  1
  O  O64  1  0.23615900  0.29849200  0.39099200  1
  O  O65  1  0.09291500  0.37109700  0.60548800  1
  O  O66  1  0.38957200  0.05992800  0.58626700  1
  O  O67  1  0.24787800  0.20566600  0.88473100  1
  O  O68  1  0.09754800  0.12560800  0.10435300  1
  O  O69  1  0.09168500  0.04001900  0.60433500  1
