# generated using pymatgen
data_LiTi2NbCu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47508900
_cell_length_b   6.52914968
_cell_length_c   16.36826850
_cell_angle_alpha   97.69497892
_cell_angle_beta   97.35475039
_cell_angle_gamma   109.65517820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2NbCu2O9
_chemical_formula_sum   'Li4 Ti8 Nb4 Cu8 O36'
_cell_volume   634.61038402
_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  0.03143800  0.94854200  0.97672100  1
  Li  Li1  1  0.00379200  0.50161200  0.83221100  1
  Li  Li2  1  0.01295000  0.91259600  0.67935600  1
  Li  Li3  1  0.06959200  0.11104800  0.32504000  1
  Ti  Ti4  1  0.01739700  0.49172300  0.66442800  1
  Ti  Ti5  1  0.01389600  0.01050300  0.49810900  1
  Ti  Ti6  1  0.00269200  0.51398500  0.33457800  1
  Ti  Ti7  1  0.99994900  0.99099200  0.82865300  1
  Ti  Ti8  1  0.51451000  0.50661900  0.49604400  1
  Ti  Ti9  1  0.99309700  0.48212200  0.00278700  1
  Ti  Ti10  1  0.52181200  0.50983300  0.16598000  1
  Ti  Ti11  1  0.01503700  0.01535400  0.16517400  1
  Nb  Nb12  1  0.48820600  0.49054300  0.83347300  1
  Nb  Nb13  1  0.50676900  0.99870000  0.66301100  1
  Nb  Nb14  1  0.51439300  0.00217200  0.33182700  1
  Nb  Nb15  1  0.50990100  0.99531600  0.00318600  1
  Cu  Cu16  1  0.49647600  0.99864300  0.83424300  1
  Cu  Cu17  1  0.51039600  0.49952700  0.66318200  1
  Cu  Cu18  1  0.50274700  0.00296100  0.49876400  1
  Cu  Cu19  1  0.49621100  0.49767300  0.33267500  1
  Cu  Cu20  1  0.00126100  0.50147700  0.49962800  1
  Cu  Cu21  1  0.50216600  0.50115500  0.00207600  1
  Cu  Cu22  1  0.49587700  0.99810000  0.16955700  1
  Cu  Cu23  1  0.00481700  0.50095000  0.16576200  1
  O  O24  1  0.81990900  0.30157100  0.96136800  1
  O  O25  1  0.87174000  0.18880500  0.76997700  1
  O  O26  1  0.82728900  0.71355100  0.82152500  1
  O  O27  1  0.82480300  0.31439500  0.62271400  1
  O  O28  1  0.70103200  0.87136000  0.94094900  1
  O  O29  1  0.48833000  0.17608700  0.89850900  1
  O  O30  1  0.70012800  0.52336500  0.72420500  1
  O  O31  1  0.87504000  0.17965100  0.43367600  1
  O  O32  1  0.81539600  0.68828000  0.49607800  1
  O  O33  1  0.31082400  0.48790600  0.94204000  1
  O  O34  1  0.49679000  0.81831400  0.77172600  1
  O  O35  1  0.69763300  0.86902100  0.60622600  1
  O  O36  1  0.82948000  0.30625700  0.28965700  1
  O  O37  1  0.48949100  0.18476100  0.56157500  1
  O  O38  1  0.30492700  0.13132600  0.72465700  1
  O  O39  1  0.68779500  0.50803700  0.39285500  1
  O  O40  1  0.86836200  0.18106200  0.10537700  1
  O  O41  1  0.17920700  0.28969800  0.84166200  1
  O  O42  1  0.82101700  0.68795900  0.16372300  1
  O  O43  1  0.12362800  0.81452200  0.89754300  1
  O  O44  1  0.31065500  0.48715600  0.60604100  1
  O  O45  1  0.68988900  0.86665600  0.27289800  1
  O  O46  1  0.51046400  0.81897300  0.43738300  1
  O  O47  1  0.18374200  0.70678700  0.70204000  1
  O  O48  1  0.47894600  0.17986500  0.23190700  1
  O  O49  1  0.30061100  0.12684600  0.39103300  1
  O  O50  1  0.70057300  0.52309000  0.05926800  1
  O  O51  1  0.18071200  0.30954300  0.50183100  1
  O  O52  1  0.12927700  0.82427300  0.56249000  1
  O  O53  1  0.30338800  0.48488400  0.27335200  1
  O  O54  1  0.50736700  0.81527900  0.10704800  1
  O  O55  1  0.30992300  0.13144500  0.06073300  1
  O  O56  1  0.17515100  0.68894800  0.37706700  1
  O  O57  1  0.17940300  0.30413300  0.17109600  1
  O  O58  1  0.12454600  0.81889100  0.23151500  1
  O  O59  1  0.17715100  0.69515600  0.04179100  1
