# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44485400
_cell_length_b   8.55555900
_cell_length_c   9.78586535
_cell_angle_alpha   85.04269358
_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   537.56765117
_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  0.75093000  0.89888100  0.36487700  1
  Li  Li1  1  0.74907000  0.89888100  0.86487700  1
  Li  Li2  1  0.51318700  0.71668700  0.63237700  1
  Li  Li3  1  0.98681300  0.71668700  0.13237600  1
  Li  Li4  1  0.24638700  0.64873700  0.35931800  1
  Li  Li5  1  0.25361300  0.64873700  0.85931800  1
  Li  Li6  1  0.75361300  0.35126300  0.64068200  1
  Li  Li7  1  0.74638700  0.35126300  0.14068200  1
  Li  Li8  1  0.48681300  0.28331300  0.36762300  1
  Li  Li9  1  0.01318700  0.28331300  0.86762300  1
  Li  Li10  1  0.24907000  0.10111900  0.63512300  1
  Li  Li11  1  0.25093000  0.10111900  0.13512300  1
  Fe  Fe12  1  0.00108600  0.73173000  0.62096500  1
  Fe  Fe13  1  0.49891400  0.73173000  0.12096500  1
  Fe  Fe14  1  0.99891400  0.26827000  0.37903500  1
  Fe  Fe15  1  0.50108600  0.26827000  0.87903500  1
  P  P16  1  0.75112900  0.59155800  0.38992000  1
  P  P17  1  0.74887100  0.59155800  0.88992000  1
  P  P18  1  0.24887100  0.40844200  0.61008000  1
  P  P19  1  0.25112900  0.40844200  0.11008000  1
  C  C20  1  0.24380400  0.95898300  0.39898800  1
  C  C21  1  0.25619600  0.95898300  0.89898800  1
  C  C22  1  0.75619600  0.04101700  0.60101200  1
  C  C23  1  0.74380400  0.04101700  0.10101200  1
  O  O24  1  0.25729500  0.92870500  0.27357300  1
  O  O25  1  0.75645100  0.89418900  0.56831800  1
  O  O26  1  0.24270500  0.92870500  0.77357300  1
  O  O27  1  0.23510900  0.84759000  0.49821100  1
  O  O28  1  0.74354900  0.89418900  0.06831800  1
  O  O29  1  0.26489100  0.84759000  0.99821100  1
  O  O30  1  0.94121000  0.69093100  0.33967400  1
  O  O31  1  0.55948100  0.68833900  0.33175100  1
  O  O32  1  0.94051900  0.68833900  0.83175100  1
  O  O33  1  0.55879000  0.69093100  0.83967400  1
  O  O34  1  0.25257800  0.57607300  0.65910100  1
  O  O35  1  0.74806700  0.57846300  0.55021800  1
  O  O36  1  0.24742200  0.57607300  0.15910100  1
  O  O37  1  0.75193300  0.57846300  0.05021800  1
  O  O38  1  0.25193300  0.42153700  0.44978200  1
  O  O39  1  0.74742200  0.42392700  0.34089900  1
  O  O40  1  0.24806700  0.42153700  0.94978200  1
  O  O41  1  0.75257800  0.42392700  0.84089900  1
  O  O42  1  0.05879000  0.30906900  0.66032600  1
  O  O43  1  0.44051900  0.31166100  0.66824900  1
  O  O44  1  0.44121000  0.30906900  0.16032600  1
  O  O45  1  0.05948100  0.31166100  0.16824900  1
  O  O46  1  0.76489100  0.15241000  0.50178900  1
  O  O47  1  0.24354900  0.10581100  0.43168200  1
  O  O48  1  0.73510900  0.15241000  0.00178900  1
  O  O49  1  0.74270500  0.07129500  0.72642700  1
  O  O50  1  0.25645100  0.10581100  0.93168200  1
  O  O51  1  0.75729500  0.07129500  0.22642700  1
