# generated using pymatgen
data_Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46244300
_cell_length_b   9.41725439
_cell_length_c   10.14075843
_cell_angle_alpha   62.79380616
_cell_angle_beta   89.64853651
_cell_angle_gamma   89.56501719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2P2(CO7)2
_chemical_formula_sum   'Li6 Fe4 P4 C4 O28'
_cell_volume   548.85546193
_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  0.26161700  0.33070600  0.56368600  1
  Li  Li1  1  0.25312900  0.83104500  0.06720600  1
  Li  Li2  1  0.03371900  0.48442700  0.23420600  1
  Li  Li3  1  0.96628100  0.51557300  0.76579400  1
  Li  Li4  1  0.74687100  0.16895500  0.93279400  1
  Li  Li5  1  0.73838300  0.66929400  0.43631400  1
  Fe  Fe6  1  0.74758700  0.74003000  0.93082700  1
  Fe  Fe7  1  0.74417300  0.22959000  0.43669100  1
  Fe  Fe8  1  0.25582700  0.77041000  0.56330900  1
  Fe  Fe9  1  0.25241300  0.25997000  0.06917300  1
  P  P10  1  0.24375900  0.64842100  0.93114700  1
  P  P11  1  0.24791700  0.15312700  0.42589500  1
  P  P12  1  0.75208300  0.84687300  0.57410500  1
  P  P13  1  0.75624100  0.35157900  0.06885300  1
  C  C14  1  0.76231600  0.33593700  0.62539500  1
  C  C15  1  0.75215000  0.83085500  0.12966900  1
  C  C16  1  0.24785000  0.16914500  0.87033100  1
  C  C17  1  0.23768400  0.66406300  0.37460500  1
  O  O18  1  0.74295000  0.93640200  0.99038700  1
  O  O19  1  0.75554900  0.44039400  0.48539200  1
  O  O20  1  0.24784600  0.13936800  0.76216200  1
  O  O21  1  0.74812100  0.18752800  0.65165200  1
  O  O22  1  0.21879900  0.62909600  0.26822100  1
  O  O23  1  0.75934400  0.68186600  0.15201700  1
  O  O24  1  0.06250600  0.74536200  0.95289000  1
  O  O25  1  0.43751100  0.73326300  0.94892400  1
  O  O26  1  0.06392500  0.25730000  0.43450700  1
  O  O27  1  0.43716800  0.24257800  0.44515700  1
  O  O28  1  0.74925600  0.85644800  0.72134100  1
  O  O29  1  0.23866200  0.98028200  0.55192600  1
  O  O30  1  0.77010400  0.36066400  0.21674000  1
  O  O31  1  0.22887900  0.47417300  0.06058900  1
  O  O32  1  0.77112100  0.52582700  0.93941100  1
  O  O33  1  0.22989600  0.63933600  0.78326000  1
  O  O34  1  0.76133800  0.01971800  0.44807400  1
  O  O35  1  0.25074400  0.14355200  0.27865900  1
  O  O36  1  0.56283200  0.75742200  0.55484300  1
  O  O37  1  0.93607500  0.74270000  0.56549300  1
  O  O38  1  0.93749400  0.25463800  0.04711000  1
  O  O39  1  0.56248900  0.26673700  0.05107600  1
  O  O40  1  0.24065600  0.31813400  0.84798300  1
  O  O41  1  0.78120100  0.37090400  0.73177900  1
  O  O42  1  0.25187900  0.81247200  0.34834800  1
  O  O43  1  0.75215400  0.86063200  0.23783800  1
  O  O44  1  0.24445100  0.55960600  0.51460800  1
  O  O45  1  0.25705000  0.06359800  0.00961300  1
