# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44075600
_cell_length_b   8.57823200
_cell_length_c   9.77688885
_cell_angle_alpha   84.96403215
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   538.09084118
_cell_formula_units_Z   4
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
  Li  Li0  1  0.74957100  0.89696900  0.61324100  1
  Li  Li1  1  0.75042900  0.89696900  0.11324100  1
  Li  Li2  1  0.98624500  0.71423300  0.88239300  1
  Li  Li3  1  0.51375500  0.71423300  0.38239300  1
  Li  Li4  1  0.25589700  0.64629200  0.60911000  1
  Li  Li5  1  0.24410300  0.64629200  0.10911000  1
  Li  Li6  1  0.75589700  0.35370800  0.89089000  1
  Li  Li7  1  0.74410300  0.35370800  0.39089000  1
  Li  Li8  1  0.48624500  0.28576700  0.61760700  1
  Li  Li9  1  0.01375500  0.28576700  0.11760700  1
  Li  Li10  1  0.24957100  0.10303100  0.88675900  1
  Li  Li11  1  0.25042900  0.10303100  0.38675900  1
  Fe  Fe12  1  0.49938800  0.73339600  0.87122800  1
  Fe  Fe13  1  0.00061200  0.73339600  0.37122800  1
  Fe  Fe14  1  0.99938800  0.26660400  0.62877200  1
  Fe  Fe15  1  0.50061200  0.26660400  0.12877200  1
  P  P16  1  0.74819400  0.59198000  0.63980000  1
  P  P17  1  0.75180600  0.59198000  0.13980000  1
  P  P18  1  0.24819400  0.40802000  0.86020000  1
  P  P19  1  0.25180600  0.40802000  0.36020000  1
  C  C20  1  0.25385200  0.95895300  0.64913000  1
  C  C21  1  0.24614800  0.95895300  0.14913000  1
  C  C22  1  0.75385200  0.04104700  0.85087000  1
  C  C23  1  0.74614800  0.04104700  0.35087000  1
  O  O24  1  0.24314500  0.92963800  0.52340100  1
  O  O25  1  0.74625900  0.89530900  0.81670600  1
  O  O26  1  0.25685500  0.92963800  0.02340100  1
  O  O27  1  0.26991600  0.84708700  0.74785000  1
  O  O28  1  0.75374100  0.89530900  0.31670600  1
  O  O29  1  0.23008400  0.84708700  0.24785000  1
  O  O30  1  0.94175500  0.68718700  0.58165200  1
  O  O31  1  0.56005600  0.69235200  0.58856200  1
  O  O32  1  0.93994400  0.69235200  0.08856200  1
  O  O33  1  0.55824500  0.68718700  0.08165200  1
  O  O34  1  0.24470100  0.57561700  0.90817900  1
  O  O35  1  0.75248800  0.57986800  0.80029200  1
  O  O36  1  0.25529900  0.57561700  0.40817900  1
  O  O37  1  0.74751200  0.57986800  0.30029200  1
  O  O38  1  0.25248800  0.42013200  0.69970800  1
  O  O39  1  0.74470100  0.42438300  0.59182100  1
  O  O40  1  0.24751200  0.42013200  0.19970800  1
  O  O41  1  0.75529900  0.42438300  0.09182100  1
  O  O42  1  0.06005600  0.30764800  0.91143800  1
  O  O43  1  0.44175500  0.31281300  0.91834800  1
  O  O44  1  0.43994400  0.30764800  0.41143800  1
  O  O45  1  0.05824500  0.31281300  0.41834800  1
  O  O46  1  0.76991600  0.15291300  0.75215000  1
  O  O47  1  0.24625900  0.10469100  0.68329400  1
  O  O48  1  0.73008400  0.15291300  0.25215000  1
  O  O49  1  0.74314500  0.07036200  0.97659900  1
  O  O50  1  0.25374100  0.10469100  0.18329400  1
  O  O51  1  0.75685500  0.07036200  0.47659900  1
