# generated using pymatgen
data_Li12Fe3NiP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47152825
_cell_length_b   9.99761636
_cell_length_c   6.43878900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.26408917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Fe3NiP4(CO7)4
_chemical_formula_sum   'Li12 Fe3 Ni1 P4 C4 O28'
_cell_volume   543.47195059
_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  0.09311400  0.38124200  0.25000000  1
  Li  Li1  1  0.09626200  0.88172900  0.25000000  1
  Li  Li2  1  0.27509700  0.12246100  0.02243200  1
  Li  Li3  1  0.27509700  0.12246100  0.47756800  1
  Li  Li4  1  0.27566400  0.62518800  0.02298500  1
  Li  Li5  1  0.27566400  0.62518800  0.47701500  1
  Li  Li6  1  0.72536300  0.37798200  0.52215700  1
  Li  Li7  1  0.72536300  0.37798200  0.97784300  1
  Li  Li8  1  0.72505800  0.87428000  0.52074400  1
  Li  Li9  1  0.72505800  0.87428000  0.97925600  1
  Li  Li10  1  0.90594700  0.11933800  0.75000000  1
  Li  Li11  1  0.90473400  0.61840400  0.75000000  1
  Fe  Fe12  1  0.33383800  0.39527100  0.75000000  1
  Fe  Fe13  1  0.33622700  0.89147600  0.75000000  1
  Fe  Fe14  1  0.66680900  0.10616400  0.25000000  1
  Ni  Ni15  1  0.66711300  0.60416400  0.25000000  1
  P  P16  1  0.41299000  0.36128000  0.25000000  1
  P  P17  1  0.41335500  0.85851600  0.25000000  1
  P  P18  1  0.58752500  0.14005300  0.75000000  1
  P  P19  1  0.58830900  0.64096100  0.75000000  1
  C  C20  1  0.03451000  0.35001000  0.75000000  1
  C  C21  1  0.03480700  0.85121600  0.75000000  1
  C  C22  1  0.96591300  0.14945600  0.25000000  1
  C  C23  1  0.96143900  0.64866300  0.25000000  1
  O  O24  1  0.07097300  0.47345800  0.75000000  1
  O  O25  1  0.11244600  0.17909100  0.25000000  1
  O  O26  1  0.07098600  0.97433900  0.75000000  1
  O  O27  1  0.14792500  0.25369100  0.75000000  1
  O  O28  1  0.10704200  0.67958300  0.25000000  1
  O  O29  1  0.14860000  0.75491800  0.75000000  1
  O  O30  1  0.30958400  0.41420600  0.06301000  1
  O  O31  1  0.30958400  0.41420600  0.43699000  1
  O  O32  1  0.30959700  0.91093700  0.06300700  1
  O  O33  1  0.30959700  0.91093700  0.43699300  1
  O  O34  1  0.42124300  0.08837100  0.75000000  1
  O  O35  1  0.43135900  0.20501200  0.25000000  1
  O  O36  1  0.42036400  0.59230400  0.75000000  1
  O  O37  1  0.43278200  0.70142200  0.25000000  1
  O  O38  1  0.56980500  0.29675100  0.75000000  1
  O  O39  1  0.58017100  0.41343500  0.25000000  1
  O  O40  1  0.57177200  0.79759800  0.75000000  1
  O  O41  1  0.57888900  0.91114100  0.25000000  1
  O  O42  1  0.69079500  0.08714900  0.93728900  1
  O  O43  1  0.69079500  0.08714900  0.56271100  1
  O  O44  1  0.69101500  0.58728800  0.56200900  1
  O  O45  1  0.69101500  0.58728800  0.93799100  1
  O  O46  1  0.85215400  0.24592500  0.25000000  1
  O  O47  1  0.88773700  0.32075300  0.75000000  1
  O  O48  1  0.84534400  0.74320400  0.25000000  1
  O  O49  1  0.92932700  0.02618100  0.25000000  1
  O  O50  1  0.88825300  0.82099000  0.75000000  1
  O  O51  1  0.92558800  0.52491400  0.25000000  1
