# generated using pymatgen
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93076900
_cell_length_b   8.47081720
_cell_length_c   9.61351207
_cell_angle_alpha   111.54966776
_cell_angle_beta   102.47011445
_cell_angle_gamma   103.05238671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe2P2(CO7)2
_chemical_formula_sum   'Li10 Fe4 P4 C4 O28'
_cell_volume   552.41890542
_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  0.95755200  0.93855000  0.77775700  1
  Li  Li1  1  0.26521000  0.71845300  0.75773000  1
  Li  Li2  1  0.23895900  0.78613000  0.26017400  1
  Li  Li3  1  0.53574900  0.55079400  0.24550200  1
  Li  Li4  1  0.16585400  0.39004600  0.88950500  1
  Li  Li5  1  0.04244800  0.06145000  0.22224300  1
  Li  Li6  1  0.83414600  0.60995400  0.11049500  1
  Li  Li7  1  0.46425100  0.44920600  0.75449800  1
  Li  Li8  1  0.76104100  0.21387000  0.73982600  1
  Li  Li9  1  0.73479000  0.28154700  0.24227000  1
  Fe  Fe10  1  0.80168200  0.54880100  0.65724100  1
  Fe  Fe11  1  0.30446900  0.04605200  0.65354900  1
  Fe  Fe12  1  0.69553100  0.95394800  0.34645100  1
  Fe  Fe13  1  0.19831800  0.45119900  0.34275900  1
  P  P14  1  0.93922200  0.69766800  0.42281700  1
  P  P15  1  0.56220500  0.80514600  0.58262300  1
  P  P16  1  0.06077800  0.30233200  0.57718300  1
  P  P17  1  0.43779500  0.19485400  0.41737700  1
  C  C18  1  0.98756600  0.73271300  0.95514900  1
  C  C19  1  0.50324800  0.25483500  0.93972100  1
  C  C20  1  0.49675200  0.74516500  0.06027900  1
  C  C21  1  0.01243400  0.26728700  0.04485100  1
  O  O22  1  0.05242500  0.76793000  0.85166200  1
  O  O23  1  0.39546700  0.63192500  0.91808400  1
  O  O24  1  0.06399900  0.64098900  0.32432700  1
  O  O25  1  0.05339600  0.86228000  0.58663200  1
  O  O26  1  0.83706600  0.59643100  0.90198900  1
  O  O27  1  0.45523700  0.64016000  0.42279400  1
  O  O28  1  0.42438600  0.86626800  0.66747700  1
  O  O29  1  0.34629800  0.13589600  0.90221400  1
  O  O30  1  0.94660400  0.13772000  0.41336800  1
  O  O31  1  0.93600100  0.35901100  0.67567300  1
  O  O32  1  0.70407300  0.76771700  0.69091800  1
  O  O33  1  0.20263600  0.25130200  0.67938200  1
  O  O34  1  0.06538800  0.82618400  0.10620300  1
  O  O35  1  0.82759900  0.53492300  0.43948900  1
  O  O36  1  0.44912000  0.74178100  0.18285900  1
  O  O37  1  0.33448200  0.03406500  0.44875000  1
  O  O38  1  0.94757500  0.23207000  0.14833800  1
  O  O39  1  0.66551800  0.96593500  0.55125000  1
  O  O40  1  0.55088000  0.25821900  0.81714100  1
  O  O41  1  0.17240100  0.46507700  0.56051100  1
  O  O42  1  0.93461200  0.17381600  0.89379700  1
  O  O43  1  0.79736400  0.74869800  0.32061800  1
  O  O44  1  0.29592700  0.23228300  0.30908200  1
  O  O45  1  0.65370200  0.86410400  0.09778600  1
  O  O46  1  0.57561400  0.13373200  0.33252300  1
  O  O47  1  0.54476300  0.35984000  0.57720600  1
  O  O48  1  0.16293400  0.40356900  0.09801100  1
  O  O49  1  0.60453300  0.36807500  0.08191600  1
