# generated using pymatgen
data_Li12Co3NiP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43653500
_cell_length_b   8.39961500
_cell_length_c   9.98563851
_cell_angle_alpha   85.01264677
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Co3NiP4(CO7)4
_chemical_formula_sum   'Li12 Co3 Ni1 P4 C4 O28'
_cell_volume   537.82372689
_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  0.90260200  0.61719200  1
  Li  Li1  1  0.00000000  0.90185000  0.11742800  1
  Li  Li2  1  0.22868800  0.72273300  0.87482800  1
  Li  Li3  1  0.77131200  0.72273300  0.87482800  1
  Li  Li4  1  0.22989600  0.72306900  0.37573200  1
  Li  Li5  1  0.77010400  0.72306900  0.37573200  1
  Li  Li6  1  0.72865400  0.27725700  0.62296800  1
  Li  Li7  1  0.27134600  0.27725700  0.62296800  1
  Li  Li8  1  0.72941100  0.27719700  0.12466700  1
  Li  Li9  1  0.27058900  0.27719700  0.12466700  1
  Li  Li10  1  0.50000000  0.09790300  0.88286900  1
  Li  Li11  1  0.50000000  0.09809900  0.38281000  1
  Co  Co12  1  0.50000000  0.66831100  0.60455200  1
  Co  Co13  1  0.50000000  0.66835900  0.10516300  1
  Co  Co14  1  0.00000000  0.33084200  0.89477400  1
  Ni  Ni15  1  0.00000000  0.33204700  0.39666800  1
  P  P16  1  0.00000000  0.58575200  0.63836800  1
  P  P17  1  0.00000000  0.58513100  0.14022100  1
  P  P18  1  0.50000000  0.41289800  0.86035500  1
  P  P19  1  0.50000000  0.41258100  0.36071100  1
  C  C20  1  0.50000000  0.96291600  0.64937800  1
  C  C21  1  0.50000000  0.96343900  0.14928800  1
  C  C22  1  0.00000000  0.03675900  0.85090600  1
  C  C23  1  0.00000000  0.03990200  0.35100700  1
  O  O24  1  0.50000000  0.92703800  0.52601300  1
  O  O25  1  0.00000000  0.88981800  0.81993700  1
  O  O26  1  0.50000000  0.92687400  0.02610000  1
  O  O27  1  0.50000000  0.84535800  0.74428900  1
  O  O28  1  0.00000000  0.89260200  0.32043100  1
  O  O29  1  0.50000000  0.84583600  0.24429900  1
  O  O30  1  0.18731100  0.69178800  0.58696600  1
  O  O31  1  0.81268900  0.69178800  0.58696600  1
  O  O32  1  0.18754300  0.69147300  0.08897600  1
  O  O33  1  0.81245700  0.69147300  0.08897600  1
  O  O34  1  0.50000000  0.58033400  0.91429100  1
  O  O35  1  0.00000000  0.56532300  0.79506400  1
  O  O36  1  0.50000000  0.58031300  0.41355300  1
  O  O37  1  0.00000000  0.56297900  0.29670500  1
  O  O38  1  0.50000000  0.43366400  0.70381600  1
  O  O39  1  0.00000000  0.41908000  0.58484400  1
  O  O40  1  0.50000000  0.43393200  0.20343800  1
  O  O41  1  0.00000000  0.41974500  0.08501600  1
  O  O42  1  0.31268600  0.30786100  0.91224200  1
  O  O43  1  0.68731400  0.30786100  0.91224200  1
  O  O44  1  0.68722800  0.30827200  0.41300400  1
  O  O45  1  0.31277200  0.30827200  0.41300400  1
  O  O46  1  0.00000000  0.15389800  0.75609700  1
  O  O47  1  0.50000000  0.10943000  0.68041500  1
  O  O48  1  0.00000000  0.15695900  0.25633300  1
  O  O49  1  0.00000000  0.07241400  0.97430200  1
  O  O50  1  0.50000000  0.10982800  0.18001700  1
  O  O51  1  0.00000000  0.07588500  0.47458400  1
