# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18513999
_cell_length_b   8.18513999
_cell_length_c   8.56688739
_cell_angle_alpha   94.17405368
_cell_angle_beta   85.82594632
_cell_angle_gamma   75.99689212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   552.98939531
_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  0.52368400  0.72631700  0.10447900  1
  Li  Li1  1  0.02368400  0.22631700  0.10447900  1
  Li  Li2  1  0.47631600  0.27368400  0.89552100  1
  Li  Li3  1  0.97631600  0.77368400  0.89552100  1
  Li  Li4  1  0.85646900  0.12703900  0.72590800  1
  Li  Li5  1  0.35646900  0.62703900  0.72590800  1
  Li  Li6  1  0.14353000  0.87296200  0.27409100  1
  Li  Li7  1  0.64353000  0.37296200  0.27409100  1
  Li  Li8  1  0.62296100  0.89353100  0.72590800  1
  Li  Li9  1  0.12296100  0.39353100  0.72590800  1
  Li  Li10  1  0.37703900  0.10647000  0.27409100  1
  Li  Li11  1  0.87703900  0.60647000  0.27409100  1
  Fe  Fe12  1  0.26927900  0.48072100  0.32991000  1
  Fe  Fe13  1  0.73072200  0.51927900  0.67008900  1
  Fe  Fe14  1  0.76927900  0.98072100  0.32991000  1
  Fe  Fe15  1  0.23072200  0.01927900  0.67008900  1
  P  P16  1  0.49020000  0.75980100  0.41116000  1
  P  P17  1  0.99020000  0.25980100  0.41116000  1
  P  P18  1  0.50980000  0.24020000  0.58884000  1
  P  P19  1  0.00980000  0.74020000  0.58884000  1
  C  C20  1  0.70931300  0.04068700  0.03648400  1
  C  C21  1  0.20931300  0.54068700  0.03648400  1
  C  C22  1  0.29068700  0.95931300  0.96351600  1
  C  C23  1  0.79068700  0.45931300  0.96351600  1
  O  O24  1  0.46039200  0.28960800  0.42605500  1
  O  O25  1  0.96039200  0.78960800  0.42605500  1
  O  O26  1  0.53960800  0.71039300  0.57394600  1
  O  O27  1  0.03960800  0.21039300  0.57394600  1
  O  O28  1  0.83303100  0.91696900  0.06266600  1
  O  O29  1  0.33303100  0.41696900  0.06266600  1
  O  O30  1  0.16697000  0.08303100  0.93733400  1
  O  O31  1  0.66697000  0.58303100  0.93733400  1
  O  O32  1  0.38230400  0.86769600  0.84144500  1
  O  O33  1  0.88230400  0.36769600  0.84144500  1
  O  O34  1  0.61769700  0.13230300  0.15855600  1
  O  O35  1  0.11769700  0.63230300  0.15855600  1
  O  O36  1  0.33417900  0.91582200  0.43055200  1
  O  O37  1  0.83417900  0.41582200  0.43055200  1
  O  O38  1  0.66582200  0.08417800  0.56944900  1
  O  O39  1  0.16582200  0.58417800  0.56944900  1
  O  O40  1  0.67538700  0.07461300  0.89487300  1
  O  O41  1  0.17538700  0.57461300  0.89487300  1
  O  O42  1  0.32461300  0.92538800  0.10512700  1
  O  O43  1  0.82461300  0.42538800  0.10512700  1
  O  O44  1  0.36181700  0.20094100  0.69323400  1
  O  O45  1  0.86181700  0.70094100  0.69323400  1
  O  O46  1  0.54905900  0.38818300  0.69323400  1
  O  O47  1  0.04905900  0.88818300  0.69323400  1
  O  O48  1  0.63818200  0.79905900  0.30676700  1
  O  O49  1  0.13818200  0.29905900  0.30676700  1
  O  O50  1  0.45094100  0.61181800  0.30676700  1
  O  O51  1  0.95094100  0.11181800  0.30676700  1
