# generated using pymatgen
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71016000
_cell_length_b   8.71772367
_cell_length_c   10.17790903
_cell_angle_alpha   87.93336446
_cell_angle_beta   89.57761476
_cell_angle_gamma   89.91919314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Li3Fe2P2(CO7)2
_chemical_formula_sum   'Na6 Li6 Fe4 P4 C4 O28'
_cell_volume   594.97659269
_cell_formula_units_Z   2
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
  Na  Na0  1  0.74973300  0.91415800  0.61992900  1
  Na  Na1  1  0.00125400  0.74441500  0.36882600  1
  Na  Na2  1  0.99988900  0.73799600  0.88091000  1
  Na  Na3  1  0.49772600  0.73862500  0.87911700  1
  Na  Na4  1  0.49966100  0.25675000  0.12419600  1
  Na  Na5  1  0.49765400  0.25901800  0.62540900  1
  Li  Li6  1  0.75136400  0.91401000  0.12341300  1
  Li  Li7  1  0.52284600  0.72386800  0.37542400  1
  Li  Li8  1  0.01938100  0.27173700  0.11863500  1
  Li  Li9  1  0.02197500  0.27863700  0.61524800  1
  Li  Li10  1  0.24517800  0.09537900  0.37587400  1
  Li  Li11  1  0.23448700  0.09399200  0.87498700  1
  Fe  Fe12  1  0.25186300  0.64650600  0.11597000  1
  Fe  Fe13  1  0.25396300  0.64758800  0.60582000  1
  Fe  Fe14  1  0.75764300  0.34932300  0.38556200  1
  Fe  Fe15  1  0.75495900  0.34827200  0.89169700  1
  P  P16  1  0.75160300  0.59297400  0.15030600  1
  P  P17  1  0.75667900  0.58062700  0.64327400  1
  P  P18  1  0.25313200  0.40682900  0.35212500  1
  P  P19  1  0.24555100  0.40457500  0.85848700  1
  C  C20  1  0.24251000  0.95421200  0.13619500  1
  C  C21  1  0.23940100  0.95546100  0.63543400  1
  C  C22  1  0.74395500  0.05346500  0.35617300  1
  C  C23  1  0.75095600  0.05062500  0.86868200  1
  O  O24  1  0.72238300  0.90722000  0.33898700  1
  O  O25  1  0.74937100  0.90588500  0.84734300  1
  O  O26  1  0.24669900  0.91908100  0.01342400  1
  O  O27  1  0.24315000  0.91776800  0.51318600  1
  O  O28  1  0.25731800  0.84453800  0.22718300  1
  O  O29  1  0.25451800  0.84757400  0.72767100  1
  O  O30  1  0.93243200  0.69935000  0.11650900  1
  O  O31  1  0.56661500  0.68578500  0.10285300  1
  O  O32  1  0.94056400  0.68192000  0.60443800  1
  O  O33  1  0.57000700  0.67281300  0.59343600  1
  O  O34  1  0.73596900  0.56797500  0.30372800  1
  O  O35  1  0.27103100  0.56897100  0.40995800  1
  O  O36  1  0.74497900  0.56026200  0.79613200  1
  O  O37  1  0.24839100  0.56201100  0.92408400  1
  O  O38  1  0.76998500  0.43384300  0.08835300  1
  O  O39  1  0.22849500  0.42787800  0.19989000  1
  O  O40  1  0.76948900  0.42021600  0.58383400  1
  O  O41  1  0.22554600  0.43123700  0.70637500  1
  O  O42  1  0.43775700  0.30404100  0.38263900  1
  O  O43  1  0.07378800  0.31347700  0.41040100  1
  O  O44  1  0.43588200  0.30757200  0.88882600  1
  O  O45  1  0.06996500  0.30252800  0.91229600  1
  O  O46  1  0.76650600  0.14773500  0.25550200  1
  O  O47  1  0.75798400  0.15047400  0.76951100  1
  O  O48  1  0.74476400  0.10962900  0.47274900  1
  O  O49  1  0.74656200  0.09929200  0.98769900  1
  O  O50  1  0.22461700  0.09459600  0.17246500  1
  O  O51  1  0.22187000  0.09728300  0.66883400  1
