# generated using pymatgen
data_Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47359400
_cell_length_b   8.38309900
_cell_length_c   10.27637444
_cell_angle_alpha   85.05604966
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2P2(CO7)2
_chemical_formula_sum   'Li6 Fe4 P4 C4 O28'
_cell_volume   555.61141527
_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  0.49614100  0.88934300  0.61262500  1
  Li  Li1  1  0.50385900  0.88934300  0.11262500  1
  Li  Li2  1  0.79455300  0.28529200  0.62582500  1
  Li  Li3  1  0.20544700  0.28529200  0.12582500  1
  Li  Li4  1  0.99812800  0.09811200  0.88029300  1
  Li  Li5  1  0.00187200  0.09811200  0.38029300  1
  Fe  Fe6  1  0.00374200  0.67053900  0.59894000  1
  Fe  Fe7  1  0.99625800  0.67053900  0.09894000  1
  Fe  Fe8  1  0.50273900  0.33335700  0.90069200  1
  Fe  Fe9  1  0.49726100  0.33335700  0.40069200  1
  P  P10  1  0.50685800  0.57748400  0.63827000  1
  P  P11  1  0.49314200  0.57748400  0.13827000  1
  P  P12  1  0.99797400  0.42068800  0.86440600  1
  P  P13  1  0.00202600  0.42068800  0.36440600  1
  C  C14  1  0.99186200  0.96177500  0.64629900  1
  C  C15  1  0.00813800  0.96177500  0.14629900  1
  C  C16  1  0.50008400  0.04326500  0.85048600  1
  C  C17  1  0.49991600  0.04326500  0.35048600  1
  O  O18  1  0.99949500  0.92878600  0.52481500  1
  O  O19  1  0.49775800  0.90708100  0.80874400  1
  O  O20  1  0.00050500  0.92878600  0.02481500  1
  O  O21  1  0.00945900  0.83897100  0.73167200  1
  O  O22  1  0.50224200  0.90708100  0.30874400  1
  O  O23  1  0.99054100  0.83897100  0.23167200  1
  O  O24  1  0.31541500  0.68045200  0.59887700  1
  O  O25  1  0.69041700  0.69251000  0.60614100  1
  O  O26  1  0.30958300  0.69251000  0.10614100  1
  O  O27  1  0.68458500  0.68045200  0.09887700  1
  O  O28  1  0.00251600  0.57368500  0.93501000  1
  O  O29  1  0.50080400  0.52347400  0.78624800  1
  O  O30  1  0.99748400  0.57368500  0.43501000  1
  O  O31  1  0.49919600  0.52347400  0.28624800  1
  O  O32  1  0.99030400  0.46387100  0.71377500  1
  O  O33  1  0.52813400  0.42096800  0.56831500  1
  O  O34  1  0.00969600  0.46387100  0.21377500  1
  O  O35  1  0.47186600  0.42096800  0.06831500  1
  O  O36  1  0.81101400  0.30859600  0.90222300  1
  O  O37  1  0.18335200  0.30686800  0.90616400  1
  O  O38  1  0.81664800  0.30686800  0.40616400  1
  O  O39  1  0.18898600  0.30859600  0.40222300  1
  O  O40  1  0.51025800  0.17060300  0.76609700  1
  O  O41  1  0.96743100  0.10170700  0.68385600  1
  O  O42  1  0.48974200  0.17060300  0.26609700  1
  O  O43  1  0.49239700  0.07368500  0.97284300  1
  O  O44  1  0.03256900  0.10170700  0.18385600  1
  O  O45  1  0.50760300  0.07368500  0.47284300  1
