# generated using pymatgen
data_Li12FeNi3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44684600
_cell_length_b   8.37766600
_cell_length_c   9.94177669
_cell_angle_alpha   85.41734966
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12FeNi3P4(CO7)4
_chemical_formula_sum   'Li12 Fe1 Ni3 P4 C4 O28'
_cell_volume   535.23404433
_cell_formula_units_Z   1
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  0.00000000  0.90165300  0.61855000  1
  Li  Li1  1  0.00000000  0.90488900  0.11779500  1
  Li  Li2  1  0.22944300  0.72357300  0.87646400  1
  Li  Li3  1  0.77055700  0.72357300  0.87646400  1
  Li  Li4  1  0.23002000  0.72467900  0.37706700  1
  Li  Li5  1  0.76998000  0.72467900  0.37706700  1
  Li  Li6  1  0.72872400  0.27659500  0.62335300  1
  Li  Li7  1  0.27127600  0.27659500  0.62335300  1
  Li  Li8  1  0.72756700  0.27645800  0.12216600  1
  Li  Li9  1  0.27243300  0.27645800  0.12216600  1
  Li  Li10  1  0.50000000  0.09687100  0.88222200  1
  Li  Li11  1  0.50000000  0.09714900  0.38283200  1
  Fe  Fe12  1  0.00000000  0.33727700  0.39042400  1
  Ni  Ni13  1  0.50000000  0.66727200  0.60440200  1
  Ni  Ni14  1  0.50000000  0.66778400  0.10331600  1
  Ni  Ni15  1  0.00000000  0.33267600  0.89689500  1
  P  P16  1  0.00000000  0.58575900  0.64133700  1
  P  P17  1  0.00000000  0.58837900  0.13833000  1
  P  P18  1  0.50000000  0.41500500  0.86058500  1
  P  P19  1  0.50000000  0.41421400  0.36048900  1
  C  C20  1  0.50000000  0.96075700  0.64843100  1
  C  C21  1  0.50000000  0.96103200  0.14845200  1
  C  C22  1  0.00000000  0.03936100  0.85148800  1
  C  C23  1  0.00000000  0.03346800  0.35225300  1
  O  O24  1  0.50000000  0.92342800  0.52439200  1
  O  O25  1  0.00000000  0.89194200  0.82104700  1
  O  O26  1  0.50000000  0.92416400  0.02444500  1
  O  O27  1  0.50000000  0.84428700  0.74350500  1
  O  O28  1  0.00000000  0.88657300  0.32089700  1
  O  O29  1  0.50000000  0.84438800  0.24355500  1
  O  O30  1  0.18710800  0.69053100  0.58929700  1
  O  O31  1  0.81289200  0.69053100  0.58929700  1
  O  O32  1  0.18737200  0.69197300  0.08575400  1
  O  O33  1  0.81262800  0.69197300  0.08575400  1
  O  O34  1  0.50000000  0.58233600  0.91479300  1
  O  O35  1  0.00000000  0.56309500  0.79886400  1
  O  O36  1  0.50000000  0.58159100  0.41548400  1
  O  O37  1  0.00000000  0.56988000  0.29577000  1
  O  O38  1  0.50000000  0.43757200  0.70291500  1
  O  O39  1  0.00000000  0.41817600  0.58645800  1
  O  O40  1  0.50000000  0.43739900  0.20292000  1
  O  O41  1  0.00000000  0.41776100  0.08824300  1
  O  O42  1  0.31285400  0.30934500  0.91210400  1
  O  O43  1  0.68714600  0.30934500  0.91210400  1
  O  O44  1  0.68572100  0.30868900  0.41215500  1
  O  O45  1  0.31427900  0.30868900  0.41215500  1
  O  O46  1  0.00000000  0.15607400  0.75628900  1
  O  O47  1  0.50000000  0.10841900  0.67909400  1
  O  O48  1  0.00000000  0.14945800  0.25599300  1
  O  O49  1  0.00000000  0.07725100  0.97541900  1
  O  O50  1  0.50000000  0.10869400  0.17948100  1
  O  O51  1  0.00000000  0.07028200  0.47591100  1
