# generated using pymatgen
data_Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18528400
_cell_length_b   8.19191392
_cell_length_c   9.38028080
_cell_angle_alpha   106.66229865
_cell_angle_beta   106.85769797
_cell_angle_gamma   102.88108859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2P2(CO7)2
_chemical_formula_sum   'Li6 Fe4 P4 C4 O28'
_cell_volume   543.58997568
_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
  Li  Li0  1  0.93917000  0.18993500  0.89631800  1
  Li  Li1  1  0.44337700  0.68783500  0.89978200  1
  Li  Li2  1  0.00381300  0.46474500  0.71896800  1
  Li  Li3  1  0.28581900  0.25296500  0.27904700  1
  Li  Li4  1  0.06418700  0.80988600  0.10686300  1
  Li  Li5  1  0.55828900  0.30919700  0.10162700  1
  Fe  Fe6  1  0.05993900  0.81678000  0.66866300  1
  Fe  Fe7  1  0.56278000  0.31374800  0.67625700  1
  Fe  Fe8  1  0.93464000  0.18864400  0.33109300  1
  Fe  Fe9  1  0.44271300  0.69573600  0.32871700  1
  P  P10  1  0.30389900  0.54664300  0.57613300  1
  P  P11  1  0.79830100  0.05598000  0.57835800  1
  P  P12  1  0.69777700  0.44759700  0.42432800  1
  P  P13  1  0.20394000  0.95301600  0.42250400  1
  C  C14  1  0.75737400  0.50343300  0.95523400  1
  C  C15  1  0.24817000  0.00334400  0.96024800  1
  C  C16  1  0.74892600  0.99508200  0.03896600  1
  C  C17  1  0.24185800  0.49595700  0.04118700  1
  O  O18  1  0.11100100  0.86001900  0.92525000  1
  O  O19  1  0.61165200  0.36735300  0.91880000  1
  O  O20  1  0.64094300  0.88538400  0.90123700  1
  O  O21  1  0.78146000  0.51799400  0.82491600  1
  O  O22  1  0.12122700  0.40364200  0.90145100  1
  O  O23  1  0.28167700  0.02082200  0.83681100  1
  O  O24  1  0.91436900  0.98372600  0.69142200  1
  O  O25  1  0.72458300  0.16833700  0.69512100  1
  O  O26  1  0.21258700  0.64173900  0.68369100  1
  O  O27  1  0.42131900  0.47900500  0.69621900  1
  O  O28  1  0.85510700  0.58369000  0.58006000  1
  O  O29  1  0.92407100  0.19485800  0.53789800  1
  O  O30  1  0.42079600  0.67617100  0.52711600  1
  O  O31  1  0.35370200  0.09880900  0.57688400  1
  O  O32  1  0.65420500  0.91051500  0.42444800  1
  O  O33  1  0.55648300  0.32655200  0.46783800  1
  O  O34  1  0.07491700  0.83565900  0.47415400  1
  O  O35  1  0.16421200  0.38771000  0.42108000  1
  O  O36  1  0.59093400  0.52840700  0.31522600  1
  O  O37  1  0.76490300  0.32751700  0.30859600  1
  O  O38  1  0.26982700  0.83228400  0.30746000  1
  O  O39  1  0.09601000  0.03367800  0.30904400  1
  O  O40  1  0.72578300  0.97198300  0.16529400  1
  O  O41  1  0.86238500  0.61015600  0.09282000  1
  O  O42  1  0.23326500  0.45827500  0.16586700  1
  O  O43  1  0.34272900  0.12103900  0.10089800  1
  O  O44  1  0.38030700  0.63686100  0.07440500  1
  O  O45  1  0.88656300  0.13530600  0.07170300  1
