# generated using pymatgen
data_Li12Mn11Fe(PO4)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.52210500
_cell_length_b   4.78797000
_cell_length_c   10.54268444
_cell_angle_alpha   89.97008226
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Mn11Fe(PO4)12
_chemical_formula_sum   'Li12 Mn11 Fe1 P12 O48'
_cell_volume   934.95974088
_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  0.91666600  0.00001600  0.99999200  1
  Li  Li1  1  0.25004600  0.99997000  0.99999600  1
  Li  Li2  1  0.08333400  0.00001600  0.99999200  1
  Li  Li3  1  0.74995400  0.99997000  0.99999600  1
  Li  Li4  1  0.58307900  0.00008300  0.99947700  1
  Li  Li5  1  0.41692100  0.00008300  0.99947700  1
  Li  Li6  1  0.08331500  0.49993700  0.50000000  1
  Li  Li7  1  0.25012600  0.49988100  0.50010200  1
  Li  Li8  1  0.74987400  0.49988100  0.50010200  1
  Li  Li9  1  0.91668500  0.49993700  0.50000000  1
  Li  Li10  1  0.41705200  0.50018000  0.50028100  1
  Li  Li11  1  0.58294800  0.50018000  0.50028100  1
  Mn  Mn12  1  0.00000000  0.97236400  0.28127200  1
  Mn  Mn13  1  0.66650200  0.97201400  0.28137300  1
  Mn  Mn14  1  0.33349800  0.97201400  0.28137300  1
  Mn  Mn15  1  0.66628100  0.52813100  0.78134400  1
  Mn  Mn16  1  0.33371900  0.52813100  0.78134400  1
  Mn  Mn17  1  0.00000000  0.52803700  0.78130900  1
  Mn  Mn18  1  0.16671500  0.47212000  0.21874100  1
  Mn  Mn19  1  0.83328500  0.47212000  0.21874100  1
  Mn  Mn20  1  0.50000000  0.47275200  0.21867800  1
  Mn  Mn21  1  0.16679900  0.02798600  0.71876100  1
  Mn  Mn22  1  0.83320100  0.02798600  0.71876100  1
  Fe  Fe23  1  0.50000000  0.03088800  0.71863400  1
  P  P24  1  0.16669500  0.90955500  0.40807900  1
  P  P25  1  0.83330500  0.90955500  0.40807900  1
  P  P26  1  0.50000000  0.91069500  0.40895100  1
  P  P27  1  0.16668800  0.59042000  0.90794600  1
  P  P28  1  0.83331200  0.59042000  0.90794600  1
  P  P29  1  0.50000000  0.59146200  0.90607500  1
  P  P30  1  0.00000000  0.40958800  0.09197500  1
  P  P31  1  0.66663500  0.40957500  0.09198200  1
  P  P32  1  0.33336500  0.40957500  0.09198200  1
  P  P33  1  0.00000000  0.09009900  0.59196800  1
  P  P34  1  0.66608700  0.08888200  0.59236400  1
  P  P35  1  0.33391300  0.08888200  0.59236400  1
  O  O36  1  0.16666400  0.78758500  0.54493500  1
  O  O37  1  0.83333600  0.78758500  0.54493500  1
  O  O38  1  0.50000000  0.79072200  0.54626700  1
  O  O39  1  0.23358100  0.77679700  0.33876900  1
  O  O40  1  0.09982300  0.77683400  0.33869400  1
  O  O41  1  0.90017700  0.77683400  0.33869400  1
  O  O42  1  0.76641900  0.77679700  0.33876900  1
  O  O43  1  0.56678000  0.77682800  0.33950400  1
  O  O44  1  0.43322000  0.77682800  0.33950400  1
  O  O45  1  0.00000000  0.76925700  0.59583000  1
  O  O46  1  0.66677300  0.76808400  0.59585600  1
  O  O47  1  0.33322700  0.76808400  0.59585600  1
  O  O48  1  0.00000000  0.73057900  0.09606200  1
  O  O49  1  0.33333700  0.73051400  0.09603700  1
  O  O50  1  0.66666300  0.73051400  0.09603700  1
  O  O51  1  0.23358200  0.72328200  0.83873300  1
  O  O52  1  0.09982900  0.72350200  0.83871600  1
  O  O53  1  0.76641800  0.72328200  0.83873300  1
  O  O54  1  0.56679000  0.72654200  0.83732300  1
  O  O55  1  0.90017100  0.72350200  0.83871600  1
  O  O56  1  0.43321000  0.72654200  0.83732300  1
  O  O57  1  0.16662500  0.71235900  0.04492300  1
  O  O58  1  0.83337500  0.71235900  0.04492300  1
  O  O59  1  0.50000000  0.71091800  0.04364400  1
  O  O60  1  0.00000000  0.28766600  0.95520800  1
  O  O61  1  0.66661700  0.28783100  0.95511700  1
  O  O62  1  0.33338300  0.28783100  0.95511700  1
  O  O63  1  0.06689000  0.27664800  0.16130400  1
  O  O64  1  0.93311000  0.27664800  0.16130400  1
  O  O65  1  0.73353600  0.27657200  0.16126300  1
  O  O66  1  0.40021200  0.27663700  0.16136100  1
  O  O67  1  0.26646400  0.27657200  0.16126300  1
  O  O68  1  0.59978800  0.27663700  0.16136100  1
  O  O69  1  0.16665800  0.26953000  0.90399100  1
  O  O70  1  0.83334200  0.26953000  0.90399100  1
  O  O71  1  0.50000000  0.27005600  0.90227200  1
  O  O72  1  0.16668500  0.23056800  0.40401900  1
  O  O73  1  0.50000000  0.23154700  0.40379700  1
  O  O74  1  0.83331500  0.23056800  0.40401900  1
  O  O75  1  0.06689700  0.22306400  0.66108500  1
  O  O76  1  0.93310300  0.22306400  0.66108500  1
  O  O77  1  0.73274200  0.22329000  0.66167200  1
  O  O78  1  0.26725800  0.22329000  0.66167200  1
  O  O79  1  0.40140000  0.21781700  0.66209900  1
  O  O80  1  0.59860000  0.21781700  0.66209900  1
  O  O81  1  0.00000000  0.21215400  0.45493700  1
  O  O82  1  0.66617600  0.21257800  0.45572300  1
  O  O83  1  0.33382400  0.21257800  0.45572300  1
