# generated using pymatgen
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63714691
_cell_length_b   10.31073407
_cell_length_c   8.76839052
_cell_angle_alpha   87.61756415
_cell_angle_beta   86.70241601
_cell_angle_gamma   90.46953597
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Li3Fe2P2(CO7)2
_chemical_formula_sum   'Na6 Li6 Fe4 P4 C4 O28'
_cell_volume   598.50971131
_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  0.22392700  0.37787300  0.08351100  1
  Na  Na1  1  0.22249000  0.88020600  0.08539800  1
  Na  Na2  1  0.51060700  0.12188300  0.25210400  1
  Na  Na3  1  0.50699100  0.63153800  0.25693200  1
  Na  Na4  1  0.49569800  0.37384700  0.74241400  1
  Na  Na5  1  0.49799500  0.87488300  0.74744000  1
  Li  Li6  1  0.04459100  0.11089600  0.29275400  1
  Li  Li7  1  0.04484700  0.61431100  0.29428100  1
  Li  Li8  1  0.95962200  0.38126900  0.71264300  1
  Li  Li9  1  0.96956900  0.87917700  0.72123700  1
  Li  Li10  1  0.79922600  0.12640600  0.90505000  1
  Li  Li11  1  0.80301500  0.62147100  0.90930700  1
  Fe  Fe12  1  0.76080700  0.88829700  0.35537900  1
  Fe  Fe13  1  0.23610300  0.10775600  0.65382500  1
  Fe  Fe14  1  0.75628300  0.39430200  0.34419100  1
  Fe  Fe15  1  0.23535400  0.60788100  0.65649400  1
  P  P16  1  0.24219700  0.35732000  0.41905800  1
  P  P17  1  0.24478600  0.85595200  0.42144400  1
  P  P18  1  0.75097200  0.14434500  0.58261500  1
  P  P19  1  0.75166200  0.64527000  0.58716900  1
  C  C20  1  0.76336500  0.35886800  0.03873800  1
  C  C21  1  0.76351800  0.86221700  0.03937200  1
  C  C22  1  0.23464600  0.13883900  0.95205500  1
  C  C23  1  0.23395300  0.64028000  0.95387900  1
  O  O24  1  0.23408800  0.14652100  0.09949200  1
  O  O25  1  0.23459100  0.64935000  0.10101000  1
  O  O26  1  0.75835500  0.48088400  0.07148100  1
  O  O27  1  0.75149100  0.98516900  0.06155400  1
  O  O28  1  0.76437100  0.27063100  0.14981700  1
  O  O29  1  0.77030800  0.78001600  0.15707300  1
  O  O30  1  0.07080800  0.41320700  0.32081500  1
  O  O31  1  0.07592400  0.91358100  0.32351700  1
  O  O32  1  0.44368000  0.39972600  0.33023000  1
  O  O33  1  0.44610100  0.89448400  0.33178200  1
  O  O34  1  0.22749700  0.20586500  0.43119400  1
  O  O35  1  0.22537100  0.70431900  0.43536500  1
  O  O36  1  0.77385200  0.08492600  0.42270700  1
  O  O37  1  0.77428100  0.59253900  0.42393900  1
  O  O38  1  0.22493600  0.41047000  0.58160100  1
  O  O39  1  0.22964200  0.90972900  0.58397200  1
  O  O40  1  0.76977800  0.29526900  0.56391600  1
  O  O41  1  0.77475600  0.79635700  0.57496300  1
  O  O42  1  0.54708100  0.10606300  0.66776400  1
  O  O43  1  0.54627300  0.60648200  0.66927600  1
  O  O44  1  0.91697000  0.09169600  0.68941400  1
  O  O45  1  0.91551800  0.58777500  0.69259700  1
  O  O46  1  0.23250800  0.24291100  0.86296800  1
  O  O47  1  0.22871400  0.74361300  0.86354600  1
  O  O48  1  0.23522500  0.02666100  0.88922100  1
  O  O49  1  0.23628600  0.52772800  0.89207900  1
  O  O50  1  0.76887000  0.32241900  0.89831200  1
  O  O51  1  0.77049800  0.81651800  0.90310400  1
