# generated using pymatgen
data_Li12Cr3FeP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47040400
_cell_length_b   8.65031400
_cell_length_c   10.02797152
_cell_angle_alpha   85.61151377
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Cr3FeP4(CO7)4
_chemical_formula_sum   'Li12 Cr3 Fe1 P4 C4 O28'
_cell_volume   559.63028047
_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  0.90532500  0.61760500  1
  Li  Li1  1  0.00000000  0.90372700  0.12051400  1
  Li  Li2  1  0.22517100  0.72628600  0.87475700  1
  Li  Li3  1  0.77482900  0.72628600  0.87475700  1
  Li  Li4  1  0.22560100  0.72614300  0.37517300  1
  Li  Li5  1  0.77439900  0.72614300  0.37517300  1
  Li  Li6  1  0.72624900  0.27387900  0.62505400  1
  Li  Li7  1  0.27375100  0.27387900  0.62505400  1
  Li  Li8  1  0.72625100  0.27315900  0.12551600  1
  Li  Li9  1  0.27374900  0.27315900  0.12551600  1
  Li  Li10  1  0.50000000  0.09755900  0.88058500  1
  Li  Li11  1  0.50000000  0.09730500  0.38061200  1
  Cr  Cr12  1  0.50000000  0.66481200  0.60695600  1
  Cr  Cr13  1  0.50000000  0.66449600  0.10694100  1
  Cr  Cr14  1  0.00000000  0.33452100  0.89249000  1
  Fe  Fe15  1  0.00000000  0.33435300  0.39488200  1
  P  P16  1  0.00000000  0.58893400  0.64133900  1
  P  P17  1  0.00000000  0.58625400  0.14104300  1
  P  P18  1  0.50000000  0.41123600  0.85924600  1
  P  P19  1  0.50000000  0.41089300  0.35976100  1
  C  C20  1  0.50000000  0.96829600  0.64690100  1
  C  C21  1  0.50000000  0.96836200  0.14660300  1
  C  C22  1  0.00000000  0.03152400  0.85313900  1
  C  C23  1  0.00000000  0.03477200  0.35076500  1
  O  O24  1  0.50000000  0.93891900  0.52310900  1
  O  O25  1  0.00000000  0.88965400  0.81699400  1
  O  O26  1  0.50000000  0.93870700  0.02280800  1
  O  O27  1  0.50000000  0.85280700  0.73952100  1
  O  O28  1  0.00000000  0.89043600  0.32046700  1
  O  O29  1  0.50000000  0.85291100  0.23931000  1
  O  O30  1  0.18649900  0.68805000  0.58508900  1
  O  O31  1  0.81350100  0.68805000  0.58508900  1
  O  O32  1  0.18631100  0.68716500  0.08741000  1
  O  O33  1  0.81368900  0.68716500  0.08741000  1
  O  O34  1  0.50000000  0.57778700  0.90660200  1
  O  O35  1  0.00000000  0.58063000  0.79663200  1
  O  O36  1  0.50000000  0.57762900  0.40637600  1
  O  O37  1  0.00000000  0.57125300  0.29722900  1
  O  O38  1  0.50000000  0.42090500  0.70391200  1
  O  O39  1  0.00000000  0.42228200  0.59525200  1
  O  O40  1  0.50000000  0.42003000  0.20447900  1
  O  O41  1  0.00000000  0.42204700  0.09089900  1
  O  O42  1  0.31356800  0.31216100  0.91478800  1
  O  O43  1  0.68643200  0.31216100  0.91478800  1
  O  O44  1  0.68728700  0.31228900  0.41534100  1
  O  O45  1  0.31271300  0.31228900  0.41534100  1
  O  O46  1  0.00000000  0.14678200  0.76047200  1
  O  O47  1  0.50000000  0.10997500  0.68251300  1
  O  O48  1  0.00000000  0.14611600  0.25531200  1
  O  O49  1  0.00000000  0.06040100  0.97672100  1
  O  O50  1  0.50000000  0.10992100  0.18222800  1
  O  O51  1  0.00000000  0.07017700  0.47352800  1
