# generated using pymatgen
data_Li4Ti3V3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83829500
_cell_length_b   5.87382658
_cell_length_c   9.81199799
_cell_angle_alpha   91.15023558
_cell_angle_beta   92.40883788
_cell_angle_gamma   118.88027044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3V3(CuO8)2
_chemical_formula_sum   'Li4 Ti3 V3 Cu2 O16'
_cell_volume   294.06192489
_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  0.32151700  0.66097200  0.10390100  1
  Li  Li1  1  0.02176600  0.02193600  0.00480100  1
  Li  Li2  1  0.02017100  0.00665300  0.50335400  1
  Li  Li3  1  0.65359700  0.32209900  0.60399400  1
  Ti  Ti4  1  0.19230700  0.34661500  0.78042500  1
  Ti  Ti5  1  0.15599200  0.81918100  0.77974400  1
  Ti  Ti6  1  0.34375900  0.19136300  0.27994500  1
  V  V7  1  0.66923800  0.85144400  0.79410300  1
  V  V8  1  0.85029700  0.65906400  0.29214700  1
  V  V9  1  0.81867300  0.14983600  0.28494000  1
  Cu  Cu10  1  0.33331300  0.66686400  0.50645500  1
  Cu  Cu11  1  0.66753000  0.32909800  0.00595600  1
  O  O12  1  0.15557400  0.32000200  0.39236800  1
  O  O13  1  0.00774400  0.50747300  0.68261800  1
  O  O14  1  0.34105100  0.67873500  0.89517300  1
  O  O15  1  0.99154200  0.00339900  0.68605800  1
  O  O16  1  0.99719200  0.98869400  0.18731800  1
  O  O17  1  0.17321600  0.83536900  0.39530600  1
  O  O18  1  0.46280900  0.50867500  0.66317700  1
  O  O19  1  0.46993400  0.95217800  0.66960300  1
  O  O20  1  0.33189100  0.17105500  0.89441800  1
  O  O21  1  0.70519200  0.83522000  0.38825800  1
  O  O22  1  0.51391700  0.01736900  0.18244600  1
  O  O23  1  0.49735700  0.46483300  0.16775500  1
  O  O24  1  0.67311300  0.33716900  0.39687700  1
  O  O25  1  0.84361000  0.17043300  0.89626500  1
  O  O26  1  0.94619600  0.47730900  0.16505500  1
  O  O27  1  0.84150100  0.70666100  0.88970000  1
