# generated using pymatgen
data_Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43843829
_cell_length_b   10.26410135
_cell_length_c   6.45508084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.17159240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2P2(CO7)2
_chemical_formula_sum   'Li6 Fe4 P4 C4 O28'
_cell_volume   553.02753631
_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  0.88889575  0.44179669  0.74472841  1
  Li  Li1  1  0.88889575  0.94179669  0.75527159  1
  Li  Li2  1  0.28469091  0.23099652  0.04235514  1
  Li  Li3  1  0.28469091  0.73099652  0.45764486  1
  Li  Li4  1  0.09934941  0.07064634  0.24859088  1
  Li  Li5  1  0.09934941  0.57064634  0.25140912  1
  Fe  Fe6  1  0.67058748  0.06622427  0.24949808  1
  Fe  Fe7  1  0.67058748  0.56622427  0.25050192  1
  Fe  Fe8  1  0.33296211  0.43288956  0.74694374  1
  Fe  Fe9  1  0.33296211  0.93288956  0.75305626  1
  P  P10  1  0.57763317  0.07218232  0.75346591  1
  P  P11  1  0.57763317  0.57218232  0.74653409  1
  P  P12  1  0.42098679  0.42614778  0.25157842  1
  P  P13  1  0.42098679  0.92614778  0.24842158  1
  C  C14  1  0.96202207  0.37324202  0.23815358  1
  C  C15  1  0.96202207  0.87324202  0.26184642  1
  C  C16  1  0.04225320  0.12761146  0.75134509  1
  C  C17  1  0.04225320  0.62761146  0.74865491  1
  O  O18  1  0.92884238  0.01142699  0.25362346  1
  O  O19  1  0.92884238  0.51142699  0.24637654  1
  O  O20  1  0.90562599  0.23613508  0.75005879  1
  O  O21  1  0.83865022  0.34915188  0.24960500  1
  O  O22  1  0.90562599  0.73613508  0.74994121  1
  O  O23  1  0.83865022  0.84915188  0.25039500  1
  O  O24  1  0.69291097  0.04809179  0.93740051  1
  O  O25  1  0.68087607  0.05860407  0.56161724  1
  O  O26  1  0.68087607  0.55860407  0.93838276  1
  O  O27  1  0.69291097  0.54809179  0.56259949  1
  O  O28  1  0.57353457  0.27889207  0.24748293  1
  O  O29  1  0.52470783  0.45041926  0.74883758  1
  O  O30  1  0.57353457  0.77889207  0.25251707  1
  O  O31  1  0.52470783  0.95041926  0.75116242  1
  O  O32  1  0.46359695  0.05564347  0.24006131  1
  O  O33  1  0.42157338  0.22049878  0.77565367  1
  O  O34  1  0.46359695  0.55564347  0.25993869  1
  O  O35  1  0.42157338  0.72049878  0.72434633  1
  O  O36  1  0.30811739  0.44548620  0.43836178  1
  O  O37  1  0.30753656  0.44168830  0.06522871  1
  O  O38  1  0.30811739  0.94548620  0.06163822  1
  O  O39  1  0.30753656  0.94168830  0.43477129  1
  O  O40  1  0.16962420  0.14844473  0.76205263  1
  O  O41  1  0.10227002  0.26609294  0.21868625  1
  O  O42  1  0.16962420  0.64844473  0.73794737  1
  O  O43  1  0.10227002  0.76609294  0.28131375  1
  O  O44  1  0.07386360  0.48951548  0.75813965  1
  O  O45  1  0.07386360  0.98951548  0.74186035  1
