# generated using pymatgen
data_Li4Ti3Fe3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93756062
_cell_length_b   5.90061630
_cell_length_c   9.61446688
_cell_angle_alpha   89.98278732
_cell_angle_beta   90.83865525
_cell_angle_gamma   119.74575337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Fe3(CuO8)2
_chemical_formula_sum   'Li4 Ti3 Fe3 Cu2 O16'
_cell_volume   292.42044522
_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  0.33506500  0.66592400  0.89601600  1
  Li  Li1  1  0.99347800  0.99805600  0.99494100  1
  Li  Li2  1  0.99759000  0.99822400  0.49573900  1
  Li  Li3  1  0.66540200  0.33252900  0.39703100  1
  Ti  Ti4  1  0.16841400  0.82932100  0.21143200  1
  Ti  Ti5  1  0.17311700  0.33823600  0.21313700  1
  Ti  Ti6  1  0.34208300  0.17351900  0.71358500  1
  Fe  Fe7  1  0.66300400  0.83313000  0.21225200  1
  Fe  Fe8  1  0.83312900  0.66295500  0.71146200  1
  Fe  Fe9  1  0.83055800  0.16845500  0.71188800  1
  Cu  Cu10  1  0.33432100  0.66939800  0.48669600  1
  Cu  Cu11  1  0.67449300  0.33572900  0.98547200  1
  O  O12  1  0.17127100  0.83966300  0.60283100  1
  O  O13  1  0.03729900  0.51993800  0.33451500  1
  O  O14  1  0.32161800  0.66010900  0.10226900  1
  O  O15  1  0.00500800  0.00277700  0.31028500  1
  O  O16  1  0.00545100  0.00109900  0.80889900  1
  O  O17  1  0.16986400  0.33218400  0.60321100  1
  O  O18  1  0.47287600  0.95835800  0.33975500  1
  O  O19  1  0.47315100  0.51574200  0.34011000  1
  O  O20  1  0.32683500  0.16300900  0.10632100  1
  O  O21  1  0.67198400  0.83643700  0.60173700  1
  O  O22  1  0.51644100  0.47404900  0.84145600  1
  O  O23  1  0.51848900  0.04077100  0.84033700  1
  O  O24  1  0.65769500  0.33038300  0.60190800  1
  O  O25  1  0.84075900  0.67231200  0.10261400  1
  O  O26  1  0.96014500  0.47923800  0.83849300  1
  O  O27  1  0.84046200  0.16875700  0.10344600  1
