# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64018942
_cell_length_b   9.85474954
_cell_length_c   9.94831267
_cell_angle_alpha   117.27723169
_cell_angle_beta   100.92346904
_cell_angle_gamma   89.40617572
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   565.93157846
_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  0.47052700  0.52765100  0.11177100  1
  Li  Li1  1  0.47056500  0.02757000  0.11197200  1
  Li  Li2  1  0.78075100  0.60525800  0.96295800  1
  Li  Li3  1  0.78082000  0.10538500  0.96283500  1
  Li  Li4  1  0.12838100  0.29542400  0.26274200  1
  Li  Li5  1  0.12788400  0.79548300  0.26291600  1
  Li  Li6  1  0.12304600  0.83759800  0.81207100  1
  Li  Li7  1  0.12339000  0.33750500  0.81195200  1
  Li  Li8  1  0.54098700  0.32731000  0.34520400  1
  Li  Li9  1  0.54101300  0.82784900  0.34507200  1
  Li  Li10  1  0.71036200  0.80578900  0.72960500  1
  Li  Li11  1  0.71026000  0.30535900  0.72971800  1
  Fe  Fe12  1  0.85829300  0.63839500  0.39376800  1
  Fe  Fe13  1  0.39300100  0.49459800  0.68099300  1
  Fe  Fe14  1  0.85851400  0.13861300  0.39370500  1
  Fe  Fe15  1  0.39278000  0.99454000  0.68104600  1
  P  P16  1  0.36061400  0.62602500  0.45337100  1
  P  P17  1  0.36055600  0.12609500  0.45342400  1
  P  P18  1  0.89065500  0.50707400  0.62146800  1
  P  P19  1  0.89070300  0.00699900  0.62136900  1
  C  C20  1  0.38723900  0.21531700  0.01044200  1
  C  C21  1  0.38715300  0.71529600  0.01049300  1
  C  C22  1  0.86425000  0.41765400  0.06430400  1
  C  C23  1  0.86430700  0.91759700  0.06433700  1
  O  O24  1  0.78569200  0.04401600  0.15062200  1
  O  O25  1  0.78540400  0.54406500  0.15018000  1
  O  O26  1  0.46571900  0.58875200  0.92450700  1
  O  O27  1  0.46566900  0.08879000  0.92415400  1
  O  O28  1  0.90752500  0.31555700  0.10831600  1
  O  O29  1  0.90753300  0.81533800  0.10811000  1
  O  O30  1  0.34412200  0.81740100  0.96647600  1
  O  O31  1  0.34415100  0.31752300  0.96659000  1
  O  O32  1  0.36200400  0.23049200  0.14292400  1
  O  O33  1  0.36164600  0.73066100  0.14302800  1
  O  O34  1  0.88953300  0.90253700  0.93190200  1
  O  O35  1  0.88979100  0.40231700  0.93178300  1
  O  O36  1  0.15617900  0.65383600  0.36938300  1
  O  O37  1  0.15650100  0.15398100  0.36911100  1
  O  O38  1  0.09493100  0.47918100  0.70555300  1
  O  O39  1  0.09474300  0.97910600  0.70568200  1
  O  O40  1  0.53086000  0.62458900  0.36388300  1
  O  O41  1  0.53075100  0.12456800  0.36402300  1
  O  O42  1  0.72030600  0.50846100  0.71082800  1
  O  O43  1  0.72048900  0.00847000  0.71075200  1
  O  O44  1  0.34073400  0.46706800  0.45182100  1
  O  O45  1  0.34074900  0.96714900  0.45208900  1
  O  O46  1  0.91071000  0.66604200  0.62307100  1
  O  O47  1  0.91046600  0.16595900  0.62272800  1
  O  O48  1  0.83045300  0.38181900  0.44918500  1
  O  O49  1  0.83065000  0.88185000  0.44900000  1
  O  O50  1  0.42087400  0.75131700  0.62558600  1
  O  O51  1  0.42065100  0.25128800  0.62576100  1
