# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44768300
_cell_length_b   9.53876400
_cell_length_c   9.72039875
_cell_angle_alpha   64.51090245
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   539.64420530
_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  0.25066900  0.10773100  0.30535400  1
  Li  Li1  1  0.24933100  0.10773100  0.80535400  1
  Li  Li2  1  0.01133300  0.28748500  0.48919700  1
  Li  Li3  1  0.48866700  0.28748500  0.98919700  1
  Li  Li4  1  0.75449800  0.35953300  0.67961100  1
  Li  Li5  1  0.74550200  0.35953300  0.17961100  1
  Li  Li6  1  0.24550200  0.64046700  0.32038900  1
  Li  Li7  1  0.25449800  0.64046700  0.82038900  1
  Li  Li8  1  0.98866700  0.71251500  0.51080300  1
  Li  Li9  1  0.51133300  0.71251500  0.01080300  1
  Li  Li10  1  0.74933100  0.89226900  0.69464600  1
  Li  Li11  1  0.75066900  0.89226900  0.19464600  1
  Fe  Fe12  1  0.50294900  0.26503200  0.48642900  1
  Fe  Fe13  1  0.99705100  0.26503200  0.98642900  1
  Fe  Fe14  1  0.49705100  0.73496800  0.51357100  1
  Fe  Fe15  1  0.00294900  0.73496800  0.01357100  1
  P  P16  1  0.24865000  0.40706300  0.68594800  1
  P  P17  1  0.25135000  0.40706300  0.18594800  1
  P  P18  1  0.75135000  0.59293700  0.31405200  1
  P  P19  1  0.74865000  0.59293700  0.81405200  1
  C  C20  1  0.74260200  0.04304200  0.37833300  1
  C  C21  1  0.75739800  0.04304200  0.87833300  1
  C  C22  1  0.25739800  0.95695800  0.62166700  1
  C  C23  1  0.24260200  0.95695800  0.12166700  1
  O  O24  1  0.74035400  0.06833900  0.73854900  1
  O  O25  1  0.75964600  0.06833900  0.23854900  1
  O  O26  1  0.26155500  0.10063400  0.51301000  1
  O  O27  1  0.73443800  0.15738600  0.41768600  1
  O  O28  1  0.23844500  0.10063400  0.01301000  1
  O  O29  1  0.76556200  0.15738600  0.91768600  1
  O  O30  1  0.05976200  0.30753600  0.68505800  1
  O  O31  1  0.44142600  0.31360300  0.67265300  1
  O  O32  1  0.05857400  0.31360300  0.17265300  1
  O  O33  1  0.44023800  0.30753600  0.18505800  1
  O  O34  1  0.75552100  0.42637900  0.44434000  1
  O  O35  1  0.24602600  0.41686200  0.34243900  1
  O  O36  1  0.74447900  0.42637900  0.94434000  1
  O  O37  1  0.25397400  0.41686200  0.84243900  1
  O  O38  1  0.75397400  0.58313800  0.65756100  1
  O  O39  1  0.24447900  0.57362100  0.55566000  1
  O  O40  1  0.74602600  0.58313800  0.15756100  1
  O  O41  1  0.25552100  0.57362100  0.05566000  1
  O  O42  1  0.94023800  0.69246400  0.31494200  1
  O  O43  1  0.55857400  0.68639700  0.32734700  1
  O  O44  1  0.94142600  0.68639700  0.82734700  1
  O  O45  1  0.55976200  0.69246400  0.81494200  1
  O  O46  1  0.26556200  0.84261400  0.58231400  1
  O  O47  1  0.73844500  0.89936600  0.48699000  1
  O  O48  1  0.23443800  0.84261400  0.08231400  1
  O  O49  1  0.76155500  0.89936600  0.98699000  1
  O  O50  1  0.25964600  0.93166100  0.26145100  1
  O  O51  1  0.24035400  0.93166100  0.76145100  1
