# generated using pymatgen
data_Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38793852
_cell_length_b   8.27055888
_cell_length_c   8.25697720
_cell_angle_alpha   77.01429058
_cell_angle_beta   86.39900538
_cell_angle_gamma   93.52605453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2P2(CO7)2
_chemical_formula_sum   'Li6 Fe4 P4 C4 O28'
_cell_volume   555.37333152
_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  0.89032300  0.26438600  0.49009200  1
  Li  Li1  1  0.90110500  0.75522800  0.99191400  1
  Li  Li2  1  0.71988100  0.39671700  0.13508100  1
  Li  Li3  1  0.28798600  0.40059000  0.64626300  1
  Li  Li4  1  0.10370300  0.74073400  0.51296600  1
  Li  Li5  1  0.10793200  0.23667300  0.01133100  1
  Fe  Fe6  1  0.67701500  0.52794000  0.72031200  1
  Fe  Fe7  1  0.65941800  0.02016100  0.22384000  1
  Fe  Fe8  1  0.33580600  0.96898100  0.77875100  1
  Fe  Fe9  1  0.32504700  0.47753000  0.26806800  1
  P  P10  1  0.57410800  0.24252400  0.51231500  1
  P  P11  1  0.58083900  0.73986400  0.00574600  1
  P  P12  1  0.42200100  0.26050400  0.98619500  1
  P  P13  1  0.41911100  0.75936300  0.49454500  1
  C  C14  1  0.96318500  0.46495200  0.77487200  1
  C  C15  1  0.95328600  0.98042000  0.27820100  1
  C  C16  1  0.05189800  0.03062200  0.72404800  1
  C  C17  1  0.03578000  0.51875100  0.22324300  1
  O  O18  1  0.93292800  0.58532300  0.65022200  1
  O  O19  1  0.92700200  0.10248700  0.15483400  1
  O  O20  1  0.91770000  0.07217000  0.67795600  1
  O  O21  1  0.83753600  0.39762100  0.87452400  1
  O  O22  1  0.89525300  0.54284600  0.17862000  1
  O  O23  1  0.82425800  0.89741500  0.36047500  1
  O  O24  1  0.69343000  0.36036300  0.57695000  1
  O  O25  1  0.67784800  0.19714300  0.36724600  1
  O  O26  1  0.69580300  0.68253300  0.87881200  1
  O  O27  1  0.68807400  0.87093400  0.06619200  1
  O  O28  1  0.52428500  0.08642200  0.65257300  1
  O  O29  1  0.57927100  0.20377600  0.06216600  1
  O  O30  1  0.57155600  0.69029600  0.56637900  1
  O  O31  1  0.52806800  0.58461200  0.15043800  1
  O  O32  1  0.46874100  0.40152600  0.82678100  1
  O  O33  1  0.42215600  0.32810400  0.45403100  1
  O  O34  1  0.42695100  0.80621600  0.93587500  1
  O  O35  1  0.46875200  0.90438500  0.34086500  1
  O  O36  1  0.31575400  0.12150400  0.93818800  1
  O  O37  1  0.30591600  0.82065700  0.62021700  1
  O  O38  1  0.30844300  0.32022800  0.11347100  1
  O  O39  1  0.30551600  0.62236400  0.44686900  1
  O  O40  1  0.18117500  0.11943900  0.64637100  1
  O  O41  1  0.10088600  0.41245500  0.79832600  1
  O  O42  1  0.15881900  0.61469400  0.14527000  1
  O  O43  1  0.08805800  0.93765600  0.32178300  1
  O  O44  1  0.06986100  0.39808200  0.34566600  1
  O  O45  1  0.07753100  0.90480300  0.84310400  1
