# generated using pymatgen
data_Li12Cr3NiP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46255000
_cell_length_b   8.61857400
_cell_length_c   9.99521450
_cell_angle_alpha   85.41046906
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Cr3NiP4(CO7)4
_chemical_formula_sum   'Li12 Cr3 Ni1 P4 C4 O28'
_cell_volume   554.92801948
_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  0.90308500  0.61294200  1
  Li  Li1  1  0.00000000  0.89379200  0.11787600  1
  Li  Li2  1  0.22718600  0.72663600  0.87145900  1
  Li  Li3  1  0.77281400  0.72663600  0.87145900  1
  Li  Li4  1  0.22892600  0.72684500  0.37208700  1
  Li  Li5  1  0.77107400  0.72684500  0.37208700  1
  Li  Li6  1  0.72500100  0.27333400  0.62490400  1
  Li  Li7  1  0.27499900  0.27333400  0.62490400  1
  Li  Li8  1  0.72725200  0.27241200  0.12935600  1
  Li  Li9  1  0.27274800  0.27241200  0.12935600  1
  Li  Li10  1  0.50000000  0.10360800  0.88475900  1
  Li  Li11  1  0.50000000  0.10486300  0.38380500  1
  Cr  Cr12  1  0.50000000  0.66564200  0.60332100  1
  Cr  Cr13  1  0.50000000  0.66400800  0.10739000  1
  Cr  Cr14  1  0.00000000  0.33223900  0.89415600  1
  Ni  Ni15  1  0.00000000  0.33301300  0.39884000  1
  P  P16  1  0.00000000  0.58816900  0.63638100  1
  P  P17  1  0.00000000  0.58292100  0.14265300  1
  P  P18  1  0.50000000  0.41095800  0.86035900  1
  P  P19  1  0.50000000  0.41014300  0.36098300  1
  C  C20  1  0.50000000  0.96797200  0.64803400  1
  C  C21  1  0.50000000  0.96762900  0.14829100  1
  C  C22  1  0.00000000  0.02961400  0.85237000  1
  C  C23  1  0.00000000  0.04307200  0.35028200  1
  O  O24  1  0.50000000  0.94234200  0.52296700  1
  O  O25  1  0.00000000  0.88887900  0.81347600  1
  O  O26  1  0.50000000  0.93972200  0.02373700  1
  O  O27  1  0.50000000  0.84869500  0.73844200  1
  O  O28  1  0.00000000  0.89956500  0.31831000  1
  O  O29  1  0.50000000  0.85001400  0.24025000  1
  O  O30  1  0.18660800  0.68855000  0.58035800  1
  O  O31  1  0.81339200  0.68855000  0.58035800  1
  O  O32  1  0.18603200  0.68637500  0.09058100  1
  O  O33  1  0.81396800  0.68637500  0.09058100  1
  O  O34  1  0.50000000  0.57801000  0.90734100  1
  O  O35  1  0.00000000  0.57868500  0.79199000  1
  O  O36  1  0.50000000  0.57813200  0.40626200  1
  O  O37  1  0.00000000  0.56343700  0.29933600  1
  O  O38  1  0.50000000  0.42009900  0.70476700  1
  O  O39  1  0.00000000  0.42100300  0.58951200  1
  O  O40  1  0.50000000  0.41917500  0.20508500  1
  O  O41  1  0.00000000  0.42068000  0.08870800  1
  O  O42  1  0.31342100  0.31119000  0.91675500  1
  O  O43  1  0.68657900  0.31119000  0.91675500  1
  O  O44  1  0.68780200  0.31147300  0.41711200  1
  O  O45  1  0.31219800  0.31147300  0.41711200  1
  O  O46  1  0.00000000  0.14835900  0.76152900  1
  O  O47  1  0.50000000  0.10858600  0.68648500  1
  O  O48  1  0.00000000  0.15893700  0.25744600  1
  O  O49  1  0.00000000  0.05500500  0.97728700  1
  O  O50  1  0.50000000  0.10896500  0.18514200  1
  O  O51  1  0.00000000  0.07735200  0.47426300  1
