# generated using pymatgen
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64184000
_cell_length_b   8.77414012
_cell_length_c   10.19776150
_cell_angle_alpha   91.86809769
_cell_angle_beta   90.00275867
_cell_angle_gamma   90.52484893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Li3Fe2P2(CO7)2
_chemical_formula_sum   'Na6 Li6 Fe4 P4 C4 O28'
_cell_volume   593.94837568
_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  0.24741000  0.91723100  0.87904000  1
  Na  Na1  1  0.24711900  0.91559400  0.38104800  1
  Na  Na2  1  0.99912200  0.74017000  0.12108700  1
  Na  Na3  1  0.50062900  0.74068600  0.12218200  1
  Na  Na4  1  0.50200100  0.25418300  0.87575700  1
  Na  Na5  1  0.50228800  0.25948300  0.37631000  1
  Li  Li6  1  0.02260900  0.72617100  0.61868300  1
  Li  Li7  1  0.47603300  0.72539400  0.61975800  1
  Li  Li8  1  0.98120100  0.27189300  0.88285200  1
  Li  Li9  1  0.98305700  0.27410100  0.38258000  1
  Li  Li10  1  0.76657000  0.09061600  0.62463700  1
  Li  Li11  1  0.76514000  0.09386500  0.12664800  1
  Fe  Fe12  1  0.74916900  0.64301200  0.88110700  1
  Fe  Fe13  1  0.74991300  0.65115600  0.39762300  1
  Fe  Fe14  1  0.24407700  0.34819800  0.61194800  1
  Fe  Fe15  1  0.24424200  0.35187300  0.10741200  1
  P  P16  1  0.24441700  0.58695300  0.84724300  1
  P  P17  1  0.24404600  0.58259100  0.35950000  1
  P  P18  1  0.75383600  0.40871800  0.64936000  1
  P  P19  1  0.75225700  0.40818100  0.14543200  1
  C  C20  1  0.75854000  0.95364700  0.86160700  1
  C  C21  1  0.75988200  0.95520100  0.36400100  1
  C  C22  1  0.24683600  0.04788300  0.63485800  1
  C  C23  1  0.24602500  0.05982900  0.13760900  1
  O  O24  1  0.25038200  0.89971700  0.63945100  1
  O  O25  1  0.25227200  0.91336900  0.14748500  1
  O  O26  1  0.75222100  0.91957000  0.98507300  1
  O  O27  1  0.75365200  0.91487400  0.48553800  1
  O  O28  1  0.74606100  0.84519800  0.77100000  1
  O  O29  1  0.74917400  0.84990200  0.27012500  1
  O  O30  1  0.06301300  0.68636900  0.88998300  1
  O  O31  1  0.43463900  0.67590900  0.89465400  1
  O  O32  1  0.06298000  0.68367200  0.40565300  1
  O  O33  1  0.43579200  0.67142300  0.41037800  1
  O  O34  1  0.24882800  0.57221800  0.69262000  1
  O  O35  1  0.75254000  0.57412900  0.59723900  1
  O  O36  1  0.24892100  0.56814600  0.20681300  1
  O  O37  1  0.74719800  0.56417700  0.07913700  1
  O  O38  1  0.23262500  0.42483700  0.90356000  1
  O  O39  1  0.77742600  0.42225800  0.80196700  1
  O  O40  1  0.22984200  0.42096800  0.41448100  1
  O  O41  1  0.77454600  0.43323200  0.29726100  1
  O  O42  1  0.55948000  0.31680600  0.61466900  1
  O  O43  1  0.92680900  0.30930200  0.59039700  1
  O  O44  1  0.55942600  0.31103300  0.11512600  1
  O  O45  1  0.92850800  0.30715300  0.09162500  1
  O  O46  1  0.23841500  0.13345400  0.74127500  1
  O  O47  1  0.23485200  0.14890200  0.24179500  1
  O  O48  1  0.25104500  0.11517200  0.52288500  1
  O  O49  1  0.25055900  0.12037300  0.02265700  1
  O  O50  1  0.77649600  0.09410000  0.82616600  1
  O  O51  1  0.77587600  0.09710400  0.33270400  1
