# generated using pymatgen
data_Li2FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08550200
_cell_length_b   8.49207002
_cell_length_c   12.79722427
_cell_angle_alpha   96.39994969
_cell_angle_beta   93.65228487
_cell_angle_gamma   94.72934369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePCO7
_chemical_formula_sum   'Li8 Fe4 P4 C4 O28'
_cell_volume   545.86791591
_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  0.74980000  0.20443000  0.43921400  1
  Li  Li1  1  0.59574900  0.25060000  0.20679400  1
  Li  Li2  1  0.72143500  0.27134300  0.98186700  1
  Li  Li3  1  0.75710700  0.94587500  0.78336100  1
  Li  Li4  1  0.61925600  0.29861400  0.66707700  1
  Li  Li5  1  0.34955200  0.80664900  0.19829400  1
  Li  Li6  1  0.22222400  0.78005200  0.42635000  1
  Li  Li7  1  0.25838900  0.77826500  0.93002800  1
  Fe  Fe8  1  0.79430500  0.68087600  0.08657500  1
  Fe  Fe9  1  0.76754400  0.68968700  0.58895300  1
  Fe  Fe10  1  0.15920300  0.37324500  0.33032300  1
  Fe  Fe11  1  0.16913100  0.36654900  0.82928800  1
  P  P12  1  0.68985200  0.60426800  0.33098500  1
  P  P13  1  0.70356900  0.60061400  0.83161900  1
  P  P14  1  0.25877500  0.44957800  0.08554300  1
  P  P15  1  0.23228600  0.45099700  0.58555900  1
  C  C16  1  0.72058100  0.96909600  0.08219400  1
  C  C17  1  0.65345600  0.96951400  0.57322300  1
  C  C18  1  0.21718200  0.07905700  0.32732100  1
  C  C19  1  0.29147400  0.08522300  0.84378900  1
  O  O20  1  0.95123900  0.91828900  0.09942800  1
  O  O21  1  0.79913500  0.44087400  0.29584100  1
  O  O22  1  0.85583000  0.68728800  0.43019700  1
  O  O23  1  0.87068600  0.93070800  0.62222100  1
  O  O24  1  0.81354400  0.44041000  0.79185400  1
  O  O25  1  0.87271300  0.68007700  0.93188000  1
  O  O26  1  0.69622000  0.70871100  0.23937800  1
  O  O27  1  0.67683200  0.11383600  0.08213500  1
  O  O28  1  0.71970700  0.71679300  0.74737800  1
  O  O29  1  0.61778400  0.11304600  0.56120000  1
  O  O30  1  0.55540600  0.47493100  0.06051800  1
  O  O31  1  0.41794500  0.19223700  0.33712300  1
  O  O32  1  0.53380800  0.48505800  0.57015600  1
  O  O33  1  0.46090200  0.21425400  0.85244500  1
  O  O34  1  0.52354900  0.85200300  0.06548400  1
  O  O35  1  0.39429800  0.57464700  0.35726300  1
  O  O36  1  0.48369300  0.84772300  0.54069800  1
  O  O37  1  0.40912600  0.56924500  0.85761600  1
  O  O38  1  0.25491400  0.93369300  0.32316300  1
  O  O39  1  0.24359800  0.34239000  0.17543100  1
  O  O40  1  0.37260200  0.94877600  0.84637800  1
  O  O41  1  0.22307700  0.33866300  0.67412200  1
  O  O42  1  0.15154900  0.61249900  0.12142500  1
  O  O43  1  0.98530600  0.13426700  0.32123000  1
  O  O44  1  0.08683200  0.36205600  0.48280000  1
  O  O45  1  0.10779800  0.60658300  0.61692200  1
  O  O46  1  0.04395600  0.11467900  0.83044200  1
  O  O47  1  0.09094500  0.37050500  0.98535900  1
