# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49054100
_cell_length_b   8.53719311
_cell_length_c   9.95816563
_cell_angle_alpha   95.17599816
_cell_angle_beta   89.96159440
_cell_angle_gamma   90.44466925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   549.52533039
_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  0.74333700  0.89641400  0.38976600  1
  Li  Li1  1  0.74575100  0.90376500  0.87934900  1
  Li  Li2  1  0.51396800  0.72401800  0.13198200  1
  Li  Li3  1  0.98654600  0.72552900  0.61173200  1
  Li  Li4  1  0.51535400  0.72433600  0.61248300  1
  Li  Li5  1  0.25315300  0.65375500  0.39989800  1
  Li  Li6  1  0.47250300  0.28084600  0.37710000  1
  Li  Li7  1  0.02855300  0.28076800  0.37671800  1
  Li  Li8  1  0.47554400  0.27498200  0.87227600  1
  Li  Li9  1  0.02127600  0.27343700  0.87373000  1
  Li  Li10  1  0.25079600  0.09798800  0.11852100  1
  Li  Li11  1  0.25102100  0.09852000  0.61427200  1
  Fe  Fe12  1  0.00177100  0.73347000  0.14018400  1
  Fe  Fe13  1  0.25335500  0.66200400  0.88576900  1
  Fe  Fe14  1  0.74955100  0.33530300  0.10577400  1
  Fe  Fe15  1  0.75042300  0.33411500  0.60480800  1
  P  P16  1  0.75062800  0.59099500  0.36156900  1
  P  P17  1  0.74867100  0.58800900  0.86079200  1
  P  P18  1  0.25008800  0.40996000  0.14193000  1
  P  P19  1  0.24987800  0.41398000  0.64093300  1
  C  C20  1  0.24394900  0.96288500  0.35027400  1
  C  C21  1  0.24845100  0.96496100  0.85120300  1
  C  C22  1  0.75086300  0.03654600  0.15063700  1
  C  C23  1  0.75013500  0.03564100  0.64992800  1
  O  O24  1  0.25009400  0.92900200  0.47221300  1
  O  O25  1  0.75247700  0.89063100  0.18403700  1
  O  O26  1  0.24681600  0.93114600  0.97568700  1
  O  O27  1  0.23616500  0.84962200  0.25047900  1
  O  O28  1  0.75074100  0.89008400  0.67833800  1
  O  O29  1  0.25046000  0.84946800  0.75605700  1
  O  O30  1  0.94126300  0.69116400  0.40822500  1
  O  O31  1  0.56104700  0.68942400  0.40891900  1
  O  O32  1  0.93732200  0.68881900  0.92032600  1
  O  O33  1  0.56437900  0.69141500  0.91537000  1
  O  O34  1  0.25079700  0.57630300  0.08817500  1
  O  O35  1  0.75533100  0.57177000  0.20067700  1
  O  O36  1  0.25044800  0.57959700  0.59363000  1
  O  O37  1  0.75429100  0.57326100  0.70420300  1
  O  O38  1  0.25104900  0.42750600  0.29685900  1
  O  O39  1  0.75022600  0.42324600  0.40915400  1
  O  O40  1  0.24823600  0.42582400  0.79923500  1
  O  O41  1  0.74729400  0.42209900  0.90986000  1
  O  O42  1  0.06275600  0.30913700  0.08546200  1
  O  O43  1  0.43692300  0.31199800  0.08352500  1
  O  O44  1  0.43618700  0.31095000  0.58819000  1
  O  O45  1  0.06358800  0.31036800  0.58677100  1
  O  O46  1  0.74895400  0.15065500  0.24518800  1
  O  O47  1  0.24963500  0.10794500  0.31830800  1
  O  O48  1  0.74971800  0.14919300  0.74720600  1
  O  O49  1  0.74975900  0.06633500  0.02618900  1
  O  O50  1  0.24912300  0.10882900  0.81957100  1
  O  O51  1  0.74935900  0.07198000  0.52652200  1
