# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59942309
_cell_length_b   8.46772532
_cell_length_c   10.14345958
_cell_angle_alpha   87.50737821
_cell_angle_beta   89.97652923
_cell_angle_gamma   90.00104368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   566.30146946
_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  0.51891100  0.99897900  0.01828300  1
  Li  Li1  1  0.51900600  0.99920200  0.51839600  1
  Li  Li2  1  0.01863200  0.00111000  0.48177200  1
  Li  Li3  1  0.01902400  0.00089800  0.98154400  1
  Li  Li4  1  0.20855800  0.17683300  0.21189700  1
  Li  Li5  1  0.20878900  0.17711700  0.71187400  1
  Li  Li6  1  0.70792800  0.82294800  0.28787600  1
  Li  Li7  1  0.70800400  0.82267500  0.78786900  1
  Li  Li8  1  0.39164900  0.52156800  0.21925000  1
  Li  Li9  1  0.39155700  0.52187400  0.71903900  1
  Li  Li10  1  0.89172900  0.47828100  0.28057600  1
  Li  Li11  1  0.89142700  0.47800000  0.78078400  1
  Fe  Fe12  1  0.74918400  0.28146200  0.51691300  1
  Fe  Fe13  1  0.24972400  0.71855500  0.98302900  1
  Fe  Fe14  1  0.74914800  0.28116000  0.01695100  1
  Fe  Fe15  1  0.24919300  0.71910900  0.48311900  1
  P  P16  1  0.24865300  0.33040100  0.47499000  1
  P  P17  1  0.24865700  0.33027300  0.97492900  1
  P  P18  1  0.74892100  0.66966000  0.02501200  1
  P  P19  1  0.74862000  0.66971100  0.52503200  1
  C  C20  1  0.74024700  0.13169300  0.26513800  1
  C  C21  1  0.74032600  0.13137600  0.76508700  1
  C  C22  1  0.24044500  0.86839900  0.23495000  1
  C  C23  1  0.24061200  0.86861800  0.73498500  1
  O  O24  1  0.71448200  0.02643200  0.17780700  1
  O  O25  1  0.71455700  0.02619500  0.67779600  1
  O  O26  1  0.21471800  0.97347600  0.32237900  1
  O  O27  1  0.21505400  0.97376200  0.82237100  1
  O  O28  1  0.75829800  0.08567100  0.38937900  1
  O  O29  1  0.75841800  0.08534400  0.88937300  1
  O  O30  1  0.25850100  0.91449000  0.11073000  1
  O  O31  1  0.25839500  0.91476400  0.61070700  1
  O  O32  1  0.06745100  0.23416500  0.03770400  1
  O  O33  1  0.06740500  0.23433800  0.53777000  1
  O  O34  1  0.56754500  0.76590400  0.46228300  1
  O  O35  1  0.56772400  0.76571700  0.96225500  1
  O  O36  1  0.43799300  0.22922700  0.01049400  1
  O  O37  1  0.43798500  0.22944200  0.51084100  1
  O  O38  1  0.93803300  0.77084100  0.48980300  1
  O  O39  1  0.93832400  0.77062400  0.98938300  1
  O  O40  1  0.75068600  0.28046200  0.23082600  1
  O  O41  1  0.75077000  0.28019600  0.73086100  1
  O  O42  1  0.25093200  0.71949600  0.26917300  1
  O  O43  1  0.25117200  0.71980000  0.76915800  1
  O  O44  1  0.21726900  0.36165500  0.32455000  1
  O  O45  1  0.21705900  0.36197000  0.82455900  1
  O  O46  1  0.71720200  0.63813600  0.17540600  1
  O  O47  1  0.71660800  0.63778800  0.67537200  1
  O  O48  1  0.27066300  0.49060400  0.04365500  1
  O  O49  1  0.27053300  0.49090200  0.54347000  1
  O  O50  1  0.77079200  0.50946200  0.45616300  1
  O  O51  1  0.77089000  0.50923200  0.95643800  1
