# generated using pymatgen
data_Li3V6Fe4(CuO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76997100
_cell_length_b   8.19832924
_cell_length_c   9.97774984
_cell_angle_alpha   106.69839195
_cell_angle_beta   104.28355391
_cell_angle_gamma   103.08317385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3V6Fe4(CuO12)2
_chemical_formula_sum   'Li3 V6 Fe4 Cu2 O24'
_cell_volume   486.96728238
_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  0.39523800  0.05747600  0.09955000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Li  Li2  1  0.60476200  0.94252400  0.90045000  1
  V  V3  1  0.22155500  0.16151400  0.76639000  1
  V  V4  1  0.40834900  0.23206000  0.37983900  1
  V  V5  1  0.87834400  0.38935300  0.15965100  1
  V  V6  1  0.12165600  0.61064700  0.84034900  1
  V  V7  1  0.59165100  0.76794000  0.62016100  1
  V  V8  1  0.77844500  0.83848600  0.23361000  1
  Fe  Fe9  1  0.95531000  0.29605100  0.48897000  1
  Fe  Fe10  1  0.62167400  0.55038600  0.89304900  1
  Fe  Fe11  1  0.37832600  0.44961400  0.10695100  1
  Fe  Fe12  1  0.04469000  0.70394900  0.51103000  1
  Cu  Cu13  1  0.71708900  0.21439400  0.70204000  1
  Cu  Cu14  1  0.28291100  0.78560600  0.29796000  1
  O  O15  1  0.81296600  0.05846700  0.32047100  1
  O  O16  1  0.23173900  0.19178500  0.95366700  1
  O  O17  1  0.00519100  0.21519500  0.66514100  1
  O  O18  1  0.30925600  0.00806400  0.25961200  1
  O  O19  1  0.47622500  0.28019700  0.76667800  1
  O  O20  1  0.66109700  0.27486500  0.51175000  1
  O  O21  1  0.80508900  0.16503900  0.06532100  1
  O  O22  1  0.87966100  0.50067400  0.85401200  1
  O  O23  1  0.23158500  0.28679300  0.46811800  1
  O  O24  1  0.91818900  0.43845400  0.35245800  1
  O  O25  1  0.32847100  0.53049600  0.92318700  1
  O  O26  1  0.43605900  0.33668500  0.25194800  1
  O  O27  1  0.56394100  0.66331500  0.74805200  1
  O  O28  1  0.67152900  0.46950400  0.07681300  1
  O  O29  1  0.08181100  0.56154600  0.64754200  1
  O  O30  1  0.76841500  0.71320700  0.53188200  1
  O  O31  1  0.12033900  0.49932600  0.14598800  1
  O  O32  1  0.19491100  0.83496100  0.93467900  1
  O  O33  1  0.33890300  0.72513500  0.48825000  1
  O  O34  1  0.52377500  0.71980300  0.23332200  1
  O  O35  1  0.69074400  0.99193600  0.74038800  1
  O  O36  1  0.99480900  0.78480500  0.33485900  1
  O  O37  1  0.76826100  0.80821500  0.04633300  1
  O  O38  1  0.18703400  0.94153300  0.67952900  1
