# generated using pymatgen
data_LiTi2NbCu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47508844
_cell_length_b   6.52914890
_cell_length_c   19.51602563
_cell_angle_alpha   109.48789168
_cell_angle_beta   109.33806958
_cell_angle_gamma   109.65517850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2NbCu2O9
_chemical_formula_sum   'Li4 Ti8 Nb4 Cu8 O36'
_cell_volume   634.61024047
_cell_formula_units_Z   4
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  0.96856200  0.05145800  0.97672100  1
  Li  Li1  1  0.99620800  0.49838800  0.83221100  1
  Li  Li2  1  0.98705000  0.08740400  0.67935600  1
  Li  Li3  1  0.93040800  0.88895200  0.32504000  1
  Ti  Ti4  1  0.98260300  0.50827700  0.66442800  1
  Ti  Ti5  1  0.98610400  0.98949700  0.49810900  1
  Ti  Ti6  1  0.99730800  0.48601500  0.33457800  1
  Ti  Ti7  1  0.00005100  0.00900800  0.82865300  1
  Ti  Ti8  1  0.48549000  0.49338100  0.49604400  1
  Ti  Ti9  1  0.00690300  0.51787800  0.00278700  1
  Ti  Ti10  1  0.47818800  0.49016700  0.16598000  1
  Ti  Ti11  1  0.98496300  0.98464600  0.16517400  1
  Nb  Nb12  1  0.51179400  0.50945700  0.83347300  1
  Nb  Nb13  1  0.49323100  0.00130000  0.66301100  1
  Nb  Nb14  1  0.48560700  0.99782800  0.33182700  1
  Nb  Nb15  1  0.49009900  0.00468400  0.00318600  1
  Cu  Cu16  1  0.50352400  0.00135700  0.83424300  1
  Cu  Cu17  1  0.48960400  0.50047300  0.66318200  1
  Cu  Cu18  1  0.49725300  0.99703900  0.49876400  1
  Cu  Cu19  1  0.50378900  0.50232700  0.33267500  1
  Cu  Cu20  1  0.99873900  0.49852300  0.49962800  1
  Cu  Cu21  1  0.49783400  0.49884500  0.00207600  1
  Cu  Cu22  1  0.50412300  0.00190000  0.16955700  1
  Cu  Cu23  1  0.99518300  0.49905000  0.16576200  1
  O  O24  1  0.18009100  0.69842900  0.96136800  1
  O  O25  1  0.12826000  0.81119500  0.76997700  1
  O  O26  1  0.17271100  0.28644900  0.82152500  1
  O  O27  1  0.17519700  0.68560500  0.62271400  1
  O  O28  1  0.29896800  0.12864000  0.94094900  1
  O  O29  1  0.51167000  0.82391300  0.89850900  1
  O  O30  1  0.29987200  0.47663500  0.72420500  1
  O  O31  1  0.12496000  0.82034900  0.43367600  1
  O  O32  1  0.18460400  0.31172000  0.49607800  1
  O  O33  1  0.68917600  0.51209400  0.94204000  1
  O  O34  1  0.50321000  0.18168600  0.77172600  1
  O  O35  1  0.30236700  0.13097900  0.60622600  1
  O  O36  1  0.17052000  0.69374300  0.28965700  1
  O  O37  1  0.51050900  0.81523900  0.56157500  1
  O  O38  1  0.69507300  0.86867400  0.72465700  1
  O  O39  1  0.31220500  0.49196300  0.39285500  1
  O  O40  1  0.13163800  0.81893800  0.10537700  1
  O  O41  1  0.82079300  0.71030200  0.84166200  1
  O  O42  1  0.17898300  0.31204100  0.16372300  1
  O  O43  1  0.87637200  0.18547800  0.89754300  1
  O  O44  1  0.68934500  0.51284400  0.60604100  1
  O  O45  1  0.31011100  0.13334400  0.27289800  1
  O  O46  1  0.48953600  0.18102700  0.43738300  1
  O  O47  1  0.81625800  0.29321300  0.70204000  1
  O  O48  1  0.52105400  0.82013500  0.23190700  1
  O  O49  1  0.69938900  0.87315400  0.39103300  1
  O  O50  1  0.29942700  0.47691000  0.05926800  1
  O  O51  1  0.81928800  0.69045700  0.50183100  1
  O  O52  1  0.87072300  0.17572700  0.56249000  1
  O  O53  1  0.69661200  0.51511600  0.27335200  1
  O  O54  1  0.49263300  0.18472100  0.10704800  1
  O  O55  1  0.69007700  0.86855500  0.06073300  1
  O  O56  1  0.82484900  0.31105200  0.37706700  1
  O  O57  1  0.82059700  0.69586700  0.17109600  1
  O  O58  1  0.87545400  0.18110900  0.23151500  1
  O  O59  1  0.82284900  0.30484400  0.04179100  1
