# generated using pymatgen
data_Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30206176
_cell_length_b   8.27597095
_cell_length_c   10.05941378
_cell_angle_alpha   85.11068125
_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   522.74645179
_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  0.01016949  0.88852516  0.58383359  1
  Li  Li1  1  0.98983051  0.88852516  0.08383359  1
  Li  Li2  1  0.70449843  0.28160831  0.63526993  1
  Li  Li3  1  0.29550157  0.28160831  0.13526993  1
  Li  Li4  1  0.51001106  0.09621585  0.89985354  1
  Li  Li5  1  0.48998894  0.09621585  0.39985354  1
  Fe  Fe6  1  0.50085429  0.67257888  0.60474381  1
  Fe  Fe7  1  0.49914571  0.67257888  0.10474381  1
  Fe  Fe8  1  0.00338065  0.33092790  0.89847923  1
  Fe  Fe9  1  0.99661935  0.33092790  0.39847923  1
  P  P10  1  0.99497957  0.57856583  0.63481274  1
  P  P11  1  0.00502043  0.57856583  0.13481274  1
  P  P12  1  0.50420058  0.41743450  0.87260372  1
  P  P13  1  0.49579942  0.41743450  0.37260372  1
  C  C14  1  0.51400015  0.95406371  0.66592901  1
  C  C15  1  0.48599985  0.95406371  0.16592901  1
  C  C16  1  0.00281973  0.05398493  0.82389906  1
  C  C17  1  0.99718027  0.05398493  0.32389906  1
  O  O18  1  0.50104394  0.92811318  0.54047054  1
  O  O19  1  0.01366448  0.92595762  0.76974493  1
  O  O20  1  0.49895606  0.92811318  0.04047054  1
  O  O21  1  0.49526521  0.82432570  0.74706221  1
  O  O22  1  0.98633552  0.92595762  0.26974493  1
  O  O23  1  0.50473479  0.82432570  0.24706221  1
  O  O24  1  0.19100397  0.67674050  0.59005800  1
  O  O25  1  0.81281705  0.69809615  0.60575775  1
  O  O26  1  0.18718295  0.69809615  0.10575775  1
  O  O27  1  0.80899603  0.67674050  0.09005800  1
  O  O28  1  0.48003984  0.56836749  0.94545478  1
  O  O29  1  0.00822019  0.52252952  0.78377742  1
  O  O30  1  0.51996016  0.56836749  0.44545478  1
  O  O31  1  0.99177981  0.52252952  0.28377742  1
  O  O32  1  0.52009532  0.46150581  0.72139082  1
  O  O33  1  0.95915428  0.42579190  0.56085748  1
  O  O34  1  0.47990468  0.46150581  0.22139082  1
  O  O35  1  0.04084572  0.42579190  0.06085748  1
  O  O36  1  0.69680443  0.31154618  0.91817652  1
  O  O37  1  0.32112643  0.29627061  0.90992533  1
  O  O38  1  0.67887357  0.29627061  0.40992533  1
  O  O39  1  0.30319557  0.31154618  0.41817652  1
  O  O40  1  0.98659431  0.19519529  0.75183368  1
  O  O41  1  0.54485826  0.09196517  0.70761271  1
  O  O42  1  0.01340569  0.19519529  0.25183368  1
  O  O43  1  0.00709959  0.07080182  0.95106920  1
  O  O44  1  0.45514174  0.09196517  0.20761271  1
  O  O45  1  0.99290041  0.07080182  0.45106920  1
