# generated using pymatgen
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71198379
_cell_length_b   10.22219565
_cell_length_c   8.72399271
_cell_angle_alpha   87.99504289
_cell_angle_beta   91.71674044
_cell_angle_gamma   89.48301291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Li3Fe2P2(CO7)2
_chemical_formula_sum   'Na6 Li6 Fe4 P4 C4 O28'
_cell_volume   597.89838039
_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  0.26085500  0.38022100  0.08761700  1
  Na  Na1  1  0.26084900  0.88073200  0.08749900  1
  Na  Na2  1  0.98669000  0.12575300  0.24757700  1
  Na  Na3  1  0.98739300  0.62633300  0.24817400  1
  Na  Na4  1  0.50473500  0.37304500  0.74651900  1
  Na  Na5  1  0.50450300  0.87396100  0.74646700  1
  Li  Li6  1  0.45295500  0.11032400  0.29368300  1
  Li  Li7  1  0.45287500  0.61052300  0.29423800  1
  Li  Li8  1  0.97875500  0.37892100  0.72337500  1
  Li  Li9  1  0.97886700  0.87969800  0.72295000  1
  Li  Li10  1  0.76401900  0.12192600  0.89092500  1
  Li  Li11  1  0.76376300  0.62203100  0.89124900  1
  Fe  Fe12  1  0.74142400  0.89025800  0.35324700  1
  Fe  Fe13  1  0.24468000  0.61004100  0.65417300  1
  Fe  Fe14  1  0.74145700  0.39007800  0.35332700  1
  Fe  Fe15  1  0.24442400  0.11097100  0.65301300  1
  P  P16  1  0.24169400  0.35572900  0.41946600  1
  P  P17  1  0.24200200  0.85572800  0.41984400  1
  P  P18  1  0.74830900  0.14449400  0.58795400  1
  P  P19  1  0.74846800  0.64422800  0.58798100  1
  C  C20  1  0.76503400  0.36534100  0.03903800  1
  C  C21  1  0.76509400  0.86545700  0.03912800  1
  C  C22  1  0.26334100  0.13779000  0.95120800  1
  C  C23  1  0.26397800  0.63797800  0.95195300  1
  O  O24  1  0.27406100  0.14507800  0.09931100  1
  O  O25  1  0.27462000  0.64576400  0.09993600  1
  O  O26  1  0.76925800  0.48985900  0.06203100  1
  O  O27  1  0.76932700  0.99001600  0.06208700  1
  O  O28  1  0.73406800  0.28332100  0.15449600  1
  O  O29  1  0.73445800  0.78349200  0.15458800  1
  O  O30  1  0.05676100  0.39271600  0.31572400  1
  O  O31  1  0.05682600  0.89232000  0.31605800  1
  O  O32  1  0.42427600  0.41253100  0.33438900  1
  O  O33  1  0.42432600  0.91261200  0.33433200  1
  O  O34  1  0.26256300  0.20233400  0.43549400  1
  O  O35  1  0.26336600  0.70250200  0.43647200  1
  O  O36  1  0.72762100  0.08756300  0.42505700  1
  O  O37  1  0.72813000  0.58739300  0.42508600  1
  O  O38  1  0.22728000  0.40957500  0.58232600  1
  O  O39  1  0.22742900  0.91036700  0.58231200  1
  O  O40  1  0.77374000  0.29605000  0.56979100  1
  O  O41  1  0.77307200  0.79585200  0.57005500  1
  O  O42  1  0.56537300  0.11385300  0.68791000  1
  O  O43  1  0.56551300  0.61286600  0.68779500  1
  O  O44  1  0.92861400  0.08462600  0.68389900  1
  O  O45  1  0.92911700  0.58465700  0.68397400  1
  O  O46  1  0.24367100  0.24245500  0.86236100  1
  O  O47  1  0.24450700  0.74239600  0.86259600  1
  O  O48  1  0.26922400  0.02514300  0.88622300  1
  O  O49  1  0.26967900  0.52502300  0.88747800  1
  O  O50  1  0.78859900  0.31895400  0.90380900  1
  O  O51  1  0.78836100  0.81912200  0.90380000  1
