# generated using pymatgen
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72233393
_cell_length_b   6.71274864
_cell_length_c   10.17081462
_cell_angle_alpha   89.41925811
_cell_angle_beta   87.60362226
_cell_angle_gamma   90.08348023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Li3Fe2P2(CO7)2
_chemical_formula_sum   'Na6 Li6 Fe4 P4 C4 O28'
_cell_volume   594.95728576
_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  0.08640345  0.25720088  0.87879623  1
  Na  Na1  1  0.25939864  0.99761298  0.62900870  1
  Na  Na2  1  0.25732250  0.00061729  0.12317601  1
  Na  Na3  1  0.25559300  0.50129508  0.12815765  1
  Na  Na4  1  0.74573137  0.49985012  0.87622301  1
  Na  Na5  1  0.73972456  0.50212840  0.37235367  1
  Li  Li6  1  0.09284803  0.24017515  0.38160534  1
  Li  Li7  1  0.28953925  0.46409476  0.61147761  1
  Li  Li8  1  0.72014707  0.97290107  0.88288972  1
  Li  Li9  1  0.72314746  0.98320098  0.37517272  1
  Li  Li10  1  0.90045585  0.76033970  0.62135427  1
  Li  Li11  1  0.89743823  0.76689848  0.12439514  1
  Fe  Fe12  1  0.35831169  0.74424768  0.88250959  1
  Fe  Fe13  1  0.34754326  0.74927281  0.39155698  1
  Fe  Fe14  1  0.66115601  0.24234239  0.60868179  1
  Fe  Fe15  1  0.64717167  0.24235679  0.11160512  1
  P  P16  1  0.41963474  0.24657377  0.85158776  1
  P  P17  1  0.41005928  0.24376374  0.35760382  1
  P  P18  1  0.59487215  0.74667761  0.64179468  1
  P  P19  1  0.59138083  0.75312410  0.14209742  1
  C  C20  1  0.04357605  0.76028255  0.86510107  1
  C  C21  1  0.04084401  0.76248851  0.36338037  1
  C  C22  1  0.96154574  0.26286099  0.63049198  1
  C  C23  1  0.93824497  0.24508314  0.15187380  1
  O  O24  1  0.10609802  0.28359618  0.65121710  1
  O  O25  1  0.08167439  0.24916194  0.17987657  1
  O  O26  1  0.06920035  0.75376912  0.98956334  1
  O  O27  1  0.07298105  0.76172451  0.48674551  1
  O  O28  1  0.15864180  0.74496615  0.77879983  1
  O  O29  1  0.15330769  0.74662262  0.27432815  1
  O  O30  1  0.31611720  0.06296957  0.88641762  1
  O  O31  1  0.32970958  0.43090951  0.90383266  1
  O  O32  1  0.30369536  0.06333791  0.39524605  1
  O  O33  1  0.31769258  0.43026508  0.40617911  1
  O  O34  1  0.44244506  0.26662272  0.69822678  1
  O  O35  1  0.43229763  0.72807553  0.58570193  1
  O  O36  1  0.43404701  0.25362623  0.20448603  1
  O  O37  1  0.43504699  0.74962438  0.07588710  1
  O  O38  1  0.57975598  0.22730441  0.91150164  1
  O  O39  1  0.57561773  0.77128825  0.79447215  1
  O  O40  1  0.56883376  0.22962592  0.41895664  1
  O  O41  1  0.56324578  0.77954501  0.29401418  1
  O  O42  1  0.69700621  0.56191402  0.61069063  1
  O  O43  1  0.68898070  0.92666531  0.58289132  1
  O  O44  1  0.68806842  0.56216439  0.11602021  1
  O  O45  1  0.69506324  0.92649694  0.08596406  1
  O  O46  1  0.86174110  0.24497187  0.72996507  1
  O  O47  1  0.83269252  0.22584493  0.24592137  1
  O  O48  1  0.91222078  0.25645340  0.51188895  1
  O  O49  1  0.89437831  0.25941695  0.03171861  1
  O  O50  1  0.90581050  0.78023384  0.82198606  1
  O  O51  1  0.90153845  0.77741135  0.32460488  1
