# generated using pymatgen
data_Li4Ti2Nb3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14938645
_cell_length_b   6.14938645
_cell_length_c   9.87946155
_cell_angle_alpha   86.62628258
_cell_angle_beta   86.62628258
_cell_angle_gamma   58.86895166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti2Nb3Cu3O16
_chemical_formula_sum   'Li4 Ti2 Nb3 Cu3 O16'
_cell_volume   319.05850508
_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  0.66708400  0.66708400  0.91216200  1
  Li  Li1  1  0.00526900  0.00526900  0.99986500  1
  Li  Li2  1  0.02564800  0.02564800  0.47861200  1
  Li  Li3  1  0.33745600  0.33745600  0.39487200  1
  Ti  Ti4  1  0.63653100  0.63653100  0.47270700  1
  Ti  Ti5  1  0.32450500  0.32450500  0.00894000  1
  Nb  Nb6  1  0.82371500  0.82371500  0.22859000  1
  Nb  Nb7  1  0.65905400  0.16026100  0.71796200  1
  Nb  Nb8  1  0.16026100  0.65905400  0.71796200  1
  Cu  Cu9  1  0.82942300  0.33804500  0.20421600  1
  Cu  Cu10  1  0.33804500  0.82942300  0.20421600  1
  Cu  Cu11  1  0.17137400  0.17137400  0.70653300  1
  O  O12  1  0.81150000  0.33673600  0.58730400  1
  O  O13  1  0.52186000  0.52186000  0.34719600  1
  O  O14  1  0.67199500  0.67199500  0.11258100  1
  O  O15  1  0.99750400  0.99750400  0.29206300  1
  O  O16  1  0.99852700  0.99852700  0.80960900  1
  O  O17  1  0.33673600  0.81150000  0.58730400  1
  O  O18  1  0.96761500  0.54215700  0.35948000  1
  O  O19  1  0.54215700  0.96761500  0.35948000  1
  O  O20  1  0.16583600  0.16583600  0.08675500  1
  O  O21  1  0.84490300  0.84490300  0.60954800  1
  O  O22  1  0.50147600  0.04170100  0.84867100  1
  O  O23  1  0.04170100  0.50147600  0.84867100  1
  O  O24  1  0.34626700  0.34626700  0.60288300  1
  O  O25  1  0.64349200  0.14709600  0.09011800  1
  O  O26  1  0.48431500  0.48431500  0.82944300  1
  O  O27  1  0.14709600  0.64349200  0.09011800  1
