# generated using pymatgen
data_Li12CrNi3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44219000
_cell_length_b   8.43585600
_cell_length_c   9.98064216
_cell_angle_alpha   85.28104301
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12CrNi3P4(CO7)4
_chemical_formula_sum   'Li12 Cr1 Ni3 P4 C4 O28'
_cell_volume   540.56324050
_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  0.89656800  0.61891700  1
  Li  Li1  1  0.00000000  0.90403300  0.11585100  1
  Li  Li2  1  0.22920800  0.72449100  0.87540300  1
  Li  Li3  1  0.77079200  0.72449100  0.87540300  1
  Li  Li4  1  0.22788100  0.72488900  0.37560300  1
  Li  Li5  1  0.77211900  0.72488900  0.37560300  1
  Li  Li6  1  0.73080900  0.27550600  0.62801200  1
  Li  Li7  1  0.26919100  0.27550600  0.62801200  1
  Li  Li8  1  0.72977600  0.27519800  0.12258400  1
  Li  Li9  1  0.27022400  0.27519800  0.12258400  1
  Li  Li10  1  0.50000000  0.09862100  0.88335700  1
  Li  Li11  1  0.50000000  0.09734900  0.38351900  1
  Cr  Cr12  1  0.00000000  0.33452400  0.39218200  1
  Ni  Ni13  1  0.50000000  0.66724100  0.60485000  1
  Ni  Ni14  1  0.50000000  0.66883200  0.10225500  1
  Ni  Ni15  1  0.00000000  0.33422100  0.89737600  1
  P  P16  1  0.00000000  0.58584800  0.64253600  1
  P  P17  1  0.00000000  0.59071700  0.13623500  1
  P  P18  1  0.50000000  0.41526000  0.86079300  1
  P  P19  1  0.50000000  0.41653400  0.35998000  1
  C  C20  1  0.50000000  0.96046800  0.64922800  1
  C  C21  1  0.50000000  0.96091500  0.14902500  1
  C  C22  1  0.00000000  0.04079800  0.85068800  1
  C  C23  1  0.00000000  0.02886900  0.35196200  1
  O  O24  1  0.50000000  0.92375300  0.52564500  1
  O  O25  1  0.00000000  0.89456600  0.82018800  1
  O  O26  1  0.50000000  0.92553300  0.02536300  1
  O  O27  1  0.50000000  0.84459700  0.74400800  1
  O  O28  1  0.00000000  0.88421300  0.31702800  1
  O  O29  1  0.50000000  0.84420200  0.24323200  1
  O  O30  1  0.18734900  0.68978700  0.59019500  1
  O  O31  1  0.81265100  0.68978700  0.59019500  1
  O  O32  1  0.18794200  0.69224300  0.08159700  1
  O  O33  1  0.81205800  0.69224300  0.08159700  1
  O  O34  1  0.50000000  0.58143200  0.91437200  1
  O  O35  1  0.00000000  0.56476500  0.79972500  1
  O  O36  1  0.50000000  0.58171300  0.41547900  1
  O  O37  1  0.00000000  0.57739600  0.29235400  1
  O  O38  1  0.50000000  0.43718000  0.70366700  1
  O  O39  1  0.00000000  0.41901600  0.58976900  1
  O  O40  1  0.50000000  0.43902800  0.20324300  1
  O  O41  1  0.00000000  0.41987000  0.08828500  1
  O  O42  1  0.31270900  0.31004700  0.91217400  1
  O  O43  1  0.68729100  0.31004700  0.91217400  1
  O  O44  1  0.68625100  0.31049000  0.41152300  1
  O  O45  1  0.31374900  0.31049000  0.41152300  1
  O  O46  1  0.00000000  0.15763300  0.75629400  1
  O  O47  1  0.50000000  0.10746600  0.67970500  1
  O  O48  1  0.00000000  0.14656900  0.25770100  1
  O  O49  1  0.00000000  0.07776100  0.97443500  1
  O  O50  1  0.50000000  0.10775600  0.18043300  1
  O  O51  1  0.00000000  0.05945100  0.47614000  1
