# generated using pymatgen
data_Li3V6Fe4(CuO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19833000
_cell_length_b   9.97775036
_cell_length_c   6.76997112
_cell_angle_alpha   104.28354970
_cell_angle_beta   103.08317099
_cell_angle_gamma   106.69839611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3V6Fe4(CuO12)2
_chemical_formula_sum   'Li3 V6 Fe4 Cu2 O24'
_cell_volume   486.96736914
_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  0.09955000  0.39523800  0.05747600  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Li  Li2  1  0.90045000  0.60476200  0.94252400  1
  V  V3  1  0.76639000  0.22155500  0.16151400  1
  V  V4  1  0.37983900  0.40834900  0.23206000  1
  V  V5  1  0.15965100  0.87834400  0.38935300  1
  V  V6  1  0.84034900  0.12165600  0.61064700  1
  V  V7  1  0.62016100  0.59165100  0.76794000  1
  V  V8  1  0.23361000  0.77844500  0.83848600  1
  Fe  Fe9  1  0.48897000  0.95531000  0.29605100  1
  Fe  Fe10  1  0.89304900  0.62167400  0.55038600  1
  Fe  Fe11  1  0.10695100  0.37832600  0.44961400  1
  Fe  Fe12  1  0.51103000  0.04469000  0.70394900  1
  Cu  Cu13  1  0.70204000  0.71708900  0.21439400  1
  Cu  Cu14  1  0.29796000  0.28291100  0.78560600  1
  O  O15  1  0.32047100  0.81296600  0.05846700  1
  O  O16  1  0.95366700  0.23173900  0.19178500  1
  O  O17  1  0.66514100  0.00519100  0.21519500  1
  O  O18  1  0.25961200  0.30925600  0.00806400  1
  O  O19  1  0.76667800  0.47622500  0.28019700  1
  O  O20  1  0.51175000  0.66109700  0.27486500  1
  O  O21  1  0.06532100  0.80508900  0.16503900  1
  O  O22  1  0.85401200  0.87966100  0.50067400  1
  O  O23  1  0.46811800  0.23158500  0.28679300  1
  O  O24  1  0.35245800  0.91818900  0.43845400  1
  O  O25  1  0.92318700  0.32847100  0.53049600  1
  O  O26  1  0.25194800  0.43605900  0.33668500  1
  O  O27  1  0.74805200  0.56394100  0.66331500  1
  O  O28  1  0.07681300  0.67152900  0.46950400  1
  O  O29  1  0.64754200  0.08181100  0.56154600  1
  O  O30  1  0.53188200  0.76841500  0.71320700  1
  O  O31  1  0.14598800  0.12033900  0.49932600  1
  O  O32  1  0.93467900  0.19491100  0.83496100  1
  O  O33  1  0.48825000  0.33890300  0.72513500  1
  O  O34  1  0.23332200  0.52377500  0.71980300  1
  O  O35  1  0.74038800  0.69074400  0.99193600  1
  O  O36  1  0.33485900  0.99480900  0.78480500  1
  O  O37  1  0.04633300  0.76826100  0.80821500  1
  O  O38  1  0.67952900  0.18703400  0.94153300  1
