# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44038000
_cell_length_b   9.47964000
_cell_length_c   9.78306237
_cell_angle_alpha   64.02052567
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   536.92570302
_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  0.24867800  0.10109200  0.56424500  1
  Li  Li1  1  0.25132200  0.10109200  0.06424500  1
  Li  Li2  1  0.48659400  0.28434900  0.74015000  1
  Li  Li3  1  0.01340600  0.28434900  0.24015000  1
  Li  Li4  1  0.74579400  0.35138800  0.93353300  1
  Li  Li5  1  0.75420600  0.35138800  0.43353300  1
  Li  Li6  1  0.24579400  0.64861200  0.56646700  1
  Li  Li7  1  0.25420600  0.64861200  0.06646700  1
  Li  Li8  1  0.98659400  0.71565100  0.75985000  1
  Li  Li9  1  0.51340600  0.71565100  0.25985000  1
  Li  Li10  1  0.74867800  0.89890800  0.93575500  1
  Li  Li11  1  0.75132200  0.89890800  0.43575500  1
  Fe  Fe12  1  0.99973800  0.26744300  0.73762600  1
  Fe  Fe13  1  0.50026200  0.26744300  0.23762600  1
  Fe  Fe14  1  0.49973800  0.73255700  0.76237400  1
  Fe  Fe15  1  0.00026200  0.73255700  0.26237400  1
  P  P16  1  0.25085000  0.40856100  0.93568500  1
  P  P17  1  0.24915000  0.40856100  0.43568500  1
  P  P18  1  0.75085000  0.59143900  0.56431500  1
  P  P19  1  0.74915000  0.59143900  0.06431500  1
  C  C20  1  0.75313200  0.04075000  0.62848400  1
  C  C21  1  0.74686800  0.04075000  0.12848400  1
  C  C22  1  0.25313200  0.95925000  0.87151600  1
  C  C23  1  0.24686800  0.95925000  0.37151600  1
  O  O24  1  0.75751200  0.07120800  0.98785400  1
  O  O25  1  0.74248800  0.07120800  0.48785400  1
  O  O26  1  0.24693000  0.10585800  0.76509000  1
  O  O27  1  0.76814000  0.15180100  0.67219300  1
  O  O28  1  0.25307000  0.10585800  0.26509000  1
  O  O29  1  0.73186000  0.15180100  0.17219300  1
  O  O30  1  0.05857200  0.31205600  0.92615300  1
  O  O31  1  0.44040800  0.30890000  0.93472000  1
  O  O32  1  0.05959200  0.30890000  0.43472000  1
  O  O33  1  0.44142800  0.31205600  0.42615300  1
  O  O34  1  0.74723200  0.42368600  0.69701000  1
  O  O35  1  0.25150300  0.42155400  0.58952400  1
  O  O36  1  0.75276800  0.42368600  0.19701000  1
  O  O37  1  0.24849700  0.42155400  0.08952400  1
  O  O38  1  0.75150300  0.57844600  0.91047600  1
  O  O39  1  0.24723200  0.57631400  0.80299000  1
  O  O40  1  0.74849700  0.57844600  0.41047600  1
  O  O41  1  0.25276800  0.57631400  0.30299000  1
  O  O42  1  0.94040800  0.69110000  0.56528000  1
  O  O43  1  0.55857200  0.68794400  0.57384700  1
  O  O44  1  0.94142800  0.68794400  0.07384700  1
  O  O45  1  0.55959200  0.69110000  0.06528000  1
  O  O46  1  0.26814000  0.84819900  0.82780700  1
  O  O47  1  0.74693000  0.89414200  0.73491000  1
  O  O48  1  0.23186000  0.84819900  0.32780700  1
  O  O49  1  0.75307000  0.89414200  0.23491000  1
  O  O50  1  0.25751200  0.92879200  0.51214600  1
  O  O51  1  0.24248800  0.92879200  0.01214600  1
