# generated using pymatgen
data_Li12Fe3CoP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48304100
_cell_length_b   8.49718600
_cell_length_c   10.03073147
_cell_angle_alpha   84.78621756
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Fe3CoP4(CO7)4
_chemical_formula_sum   'Li12 Fe3 Co1 P4 C4 O28'
_cell_volume   550.28275872
_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  0.90506700  0.61938300  1
  Li  Li1  1  0.00000000  0.90302300  0.11725500  1
  Li  Li2  1  0.22837000  0.72533500  0.87569700  1
  Li  Li3  1  0.77163000  0.72533500  0.87569700  1
  Li  Li4  1  0.22804500  0.72510900  0.37454600  1
  Li  Li5  1  0.77195500  0.72510900  0.37454600  1
  Li  Li6  1  0.72814900  0.27437900  0.62331800  1
  Li  Li7  1  0.27185100  0.27437900  0.62331800  1
  Li  Li8  1  0.72846400  0.27489100  0.12628400  1
  Li  Li9  1  0.27153600  0.27489100  0.12628400  1
  Li  Li10  1  0.50000000  0.09483400  0.88135100  1
  Li  Li11  1  0.50000000  0.09446200  0.38109600  1
  Fe  Fe12  1  0.50000000  0.66635500  0.60530000  1
  Fe  Fe13  1  0.50000000  0.66588200  0.10665200  1
  Fe  Fe14  1  0.00000000  0.33316300  0.89371400  1
  Co  Co15  1  0.00000000  0.33369300  0.39511000  1
  P  P16  1  0.00000000  0.58751100  0.63886000  1
  P  P17  1  0.00000000  0.58681300  0.14173100  1
  P  P18  1  0.50000000  0.41166600  0.85939100  1
  P  P19  1  0.50000000  0.41136300  0.35962800  1
  C  C20  1  0.50000000  0.96582800  0.65022600  1
  C  C21  1  0.50000000  0.96594500  0.15009600  1
  C  C22  1  0.00000000  0.03405000  0.85017100  1
  C  C23  1  0.00000000  0.03784000  0.35053800  1
  O  O24  1  0.50000000  0.92925500  0.52763500  1
  O  O25  1  0.00000000  0.88755000  0.82156900  1
  O  O26  1  0.50000000  0.92912200  0.02761200  1
  O  O27  1  0.50000000  0.85196100  0.74691100  1
  O  O28  1  0.00000000  0.89224500  0.32006500  1
  O  O29  1  0.50000000  0.85239800  0.24699100  1
  O  O30  1  0.18666600  0.69061000  0.58551700  1
  O  O31  1  0.81333400  0.69061000  0.58551700  1
  O  O32  1  0.18645300  0.69063000  0.08876800  1
  O  O33  1  0.81354700  0.69063000  0.08876800  1
  O  O34  1  0.50000000  0.57805800  0.90955700  1
  O  O35  1  0.00000000  0.57021600  0.79504500  1
  O  O36  1  0.50000000  0.57850300  0.40842200  1
  O  O37  1  0.00000000  0.56797200  0.29812800  1
  O  O38  1  0.50000000  0.42880400  0.70311800  1
  O  O39  1  0.00000000  0.42112100  0.58848000  1
  O  O40  1  0.50000000  0.42812100  0.20315500  1
  O  O41  1  0.00000000  0.42161300  0.09047200  1
  O  O42  1  0.31313600  0.30907600  0.91292800  1
  O  O43  1  0.68686400  0.30907600  0.91292800  1
  O  O44  1  0.68735800  0.30883400  0.41282100  1
  O  O45  1  0.31264200  0.30883400  0.41282100  1
  O  O46  1  0.00000000  0.14727300  0.75334000  1
  O  O47  1  0.50000000  0.11168100  0.67885800  1
  O  O48  1  0.00000000  0.15368300  0.25580800  1
  O  O49  1  0.00000000  0.07022600  0.97264000  1
  O  O50  1  0.50000000  0.11188400  0.17857500  1
  O  O51  1  0.00000000  0.07309100  0.47335900  1
