# generated using pymatgen
data_Li12CrFe3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50241300
_cell_length_b   8.55506900
_cell_length_c   9.98126830
_cell_angle_alpha   85.26794216
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12CrFe3P4(CO7)4
_chemical_formula_sum   'Li12 Cr1 Fe3 P4 C4 O28'
_cell_volume   553.35128808
_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  0.90501500  0.62048100  1
  Li  Li1  1  0.00000000  0.90619800  0.11960100  1
  Li  Li2  1  0.22548200  0.72543200  0.87672300  1
  Li  Li3  1  0.77451800  0.72543200  0.87672300  1
  Li  Li4  1  0.22488100  0.72570400  0.37644400  1
  Li  Li5  1  0.77511900  0.72570400  0.37644400  1
  Li  Li6  1  0.72592200  0.27428800  0.62458200  1
  Li  Li7  1  0.27407800  0.27428800  0.62458200  1
  Li  Li8  1  0.72590900  0.27411100  0.12284900  1
  Li  Li9  1  0.27409100  0.27411100  0.12284900  1
  Li  Li10  1  0.50000000  0.09364500  0.88028000  1
  Li  Li11  1  0.50000000  0.09273600  0.37974400  1
  Cr  Cr12  1  0.00000000  0.33480000  0.39238700  1
  Fe  Fe13  1  0.50000000  0.66498900  0.60710700  1
  Fe  Fe14  1  0.50000000  0.66536400  0.10663100  1
  Fe  Fe15  1  0.00000000  0.33514600  0.89367400  1
  P  P16  1  0.00000000  0.58752700  0.64111300  1
  P  P17  1  0.00000000  0.58973700  0.14031700  1
  P  P18  1  0.50000000  0.41193500  0.85904900  1
  P  P19  1  0.50000000  0.41258100  0.35880500  1
  C  C20  1  0.50000000  0.96560600  0.64812500  1
  C  C21  1  0.50000000  0.96562200  0.14842200  1
  C  C22  1  0.00000000  0.03550200  0.85169400  1
  C  C23  1  0.00000000  0.03224000  0.35314000  1
  O  O24  1  0.50000000  0.92905400  0.52471500  1
  O  O25  1  0.00000000  0.88977500  0.82160800  1
  O  O26  1  0.50000000  0.92920600  0.02480000  1
  O  O27  1  0.50000000  0.85259300  0.74484900  1
  O  O28  1  0.00000000  0.88767900  0.32009000  1
  O  O29  1  0.50000000  0.85263800  0.24499700  1
  O  O30  1  0.18663100  0.68903000  0.58736900  1
  O  O31  1  0.81336900  0.68903000  0.58736900  1
  O  O32  1  0.18706500  0.69015800  0.08520700  1
  O  O33  1  0.81293500  0.69015800  0.08520700  1
  O  O34  1  0.50000000  0.57793800  0.90912300  1
  O  O35  1  0.00000000  0.57287300  0.79816900  1
  O  O36  1  0.50000000  0.57845800  0.40935100  1
  O  O37  1  0.00000000  0.57893200  0.29637200  1
  O  O38  1  0.50000000  0.42749000  0.70207700  1
  O  O39  1  0.00000000  0.42200700  0.59152600  1
  O  O40  1  0.50000000  0.42826700  0.20165600  1
  O  O41  1  0.00000000  0.42261500  0.09218800  1
  O  O42  1  0.31332600  0.31050500  0.91254900  1
  O  O43  1  0.68667400  0.31050500  0.91254900  1
  O  O44  1  0.68618600  0.31133900  0.41218700  1
  O  O45  1  0.31381400  0.31133900  0.41218700  1
  O  O46  1  0.00000000  0.14796500  0.75550800  1
  O  O47  1  0.50000000  0.11049300  0.67805900  1
  O  O48  1  0.00000000  0.14662200  0.25801100  1
  O  O49  1  0.00000000  0.07100800  0.97531600  1
  O  O50  1  0.50000000  0.11051600  0.17812800  1
  O  O51  1  0.00000000  0.06409500  0.47706600  1
