# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08730234
_cell_length_b   8.08733080
_cell_length_c   8.64278762
_cell_angle_alpha   92.59438775
_cell_angle_beta   87.41037702
_cell_angle_gamma   74.23936532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   542.49739922
_cell_formula_units_Z   4
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  0.52339100  0.74573900  0.11153600  1
  Li  Li1  1  0.02321600  0.24551600  0.11148300  1
  Li  Li2  1  0.49552200  0.27335600  0.88842300  1
  Li  Li3  1  0.99554100  0.77336900  0.88847000  1
  Li  Li4  1  0.36205700  0.11777800  0.28906800  1
  Li  Li5  1  0.86215300  0.61766900  0.28899600  1
  Li  Li6  1  0.86780200  0.11215300  0.71102700  1
  Li  Li7  1  0.36783600  0.61208700  0.71094700  1
  Li  Li8  1  0.75945800  0.97899600  0.36327400  1
  Li  Li9  1  0.25941600  0.47899300  0.36334300  1
  Li  Li10  1  0.22896000  0.00955900  0.63677000  1
  Li  Li11  1  0.72897600  0.50945500  0.63666500  1
  Fe  Fe12  1  0.12333000  0.86781200  0.25757300  1
  Fe  Fe13  1  0.11787400  0.37326900  0.74229400  1
  Fe  Fe14  1  0.62285900  0.36814000  0.25748100  1
  Fe  Fe15  1  0.61817500  0.87308100  0.74255000  1
  P  P16  1  0.48537800  0.76134700  0.40892100  1
  P  P17  1  0.98524900  0.26128300  0.40881600  1
  P  P18  1  0.51129000  0.23525500  0.59112400  1
  P  P19  1  0.01142300  0.73526000  0.59112000  1
  C  C20  1  0.73708800  0.02778300  0.04427700  1
  C  C21  1  0.23717100  0.52776700  0.04425000  1
  C  C22  1  0.27771000  0.98705500  0.95571700  1
  C  C23  1  0.77778800  0.48708800  0.95577000  1
  O  O24  1  0.86980400  0.90446600  0.06553000  1
  O  O25  1  0.36983400  0.40450800  0.06551000  1
  O  O26  1  0.15430200  0.11980600  0.93446300  1
  O  O27  1  0.65443100  0.61990900  0.93450800  1
  O  O28  1  0.30890500  0.93615700  0.09738200  1
  O  O29  1  0.80890000  0.43614400  0.09737400  1
  O  O30  1  0.68611900  0.05893800  0.90261900  1
  O  O31  1  0.18612300  0.55895200  0.90262000  1
  O  O32  1  0.64717900  0.12322800  0.16077100  1
  O  O33  1  0.14721100  0.62322500  0.16076200  1
  O  O34  1  0.37319900  0.89723000  0.83925000  1
  O  O35  1  0.87318900  0.39720100  0.83925000  1
  O  O36  1  0.45046700  0.60599600  0.31439900  1
  O  O37  1  0.95062300  0.10586300  0.31425500  1
  O  O38  1  0.35588200  0.20063200  0.68576600  1
  O  O39  1  0.85609800  0.70048100  0.68581400  1
  O  O40  1  0.63241500  0.80526500  0.31322800  1
  O  O41  1  0.13216900  0.30549200  0.31321700  1
  O  O42  1  0.55540400  0.38232400  0.68667100  1
  O  O43  1  0.05545200  0.88229900  0.68666500  1
  O  O44  1  0.46528500  0.27778900  0.42280300  1
  O  O45  1  0.96529000  0.77783500  0.42283400  1
  O  O46  1  0.52812200  0.71532300  0.57719900  1
  O  O47  1  0.02793000  0.21533400  0.57716000  1
  O  O48  1  0.31819200  0.91491200  0.41388600  1
  O  O49  1  0.81801500  0.41477400  0.41377800  1
  O  O50  1  0.66480500  0.06805800  0.58622900  1
  O  O51  1  0.16499600  0.56805500  0.58615900  1
