# generated using pymatgen
data_Ba6Li2Ti16O39
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67507879
_cell_length_b   9.67507879
_cell_length_c   9.19835019
_cell_angle_alpha   83.09519824
_cell_angle_beta   83.09519824
_cell_angle_gamma   75.25268186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Li2Ti16O39
_chemical_formula_sum   'Ba6 Li2 Ti16 O39'
_cell_volume   823.01865548
_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
  Ba  Ba0  1  0.94911100  0.94911100  0.77152200  1
  Ba  Ba1  1  0.71374100  0.39255100  0.23213800  1
  Ba  Ba2  1  0.39255100  0.71374100  0.23213800  1
  Ba  Ba3  1  0.60744900  0.28625900  0.76786200  1
  Ba  Ba4  1  0.28625900  0.60744900  0.76786200  1
  Ba  Ba5  1  0.05088900  0.05088900  0.22847800  1
  Li  Li6  1  0.73856800  0.73856800  0.23068800  1
  Li  Li7  1  0.26143200  0.26143200  0.76931200  1
  Ti  Ti8  1  0.98978700  0.66726300  0.43659700  1
  Ti  Ti9  1  0.66726300  0.98978700  0.43659700  1
  Ti  Ti10  1  0.92579500  0.58867500  0.76965900  1
  Ti  Ti11  1  0.58867500  0.92579500  0.76965900  1
  Ti  Ti12  1  0.66564900  0.66564900  0.55580900  1
  Ti  Ti13  1  0.95969900  0.28269600  0.90322500  1
  Ti  Ti14  1  0.28269600  0.95969900  0.90322500  1
  Ti  Ti15  1  0.62189800  0.62189800  0.91371700  1
  Ti  Ti16  1  0.37810200  0.37810200  0.08628300  1
  Ti  Ti17  1  0.71730400  0.04030100  0.09677500  1
  Ti  Ti18  1  0.04030100  0.71730400  0.09677500  1
  Ti  Ti19  1  0.33435100  0.33435100  0.44419100  1
  Ti  Ti20  1  0.41132500  0.07420500  0.23034100  1
  Ti  Ti21  1  0.07420500  0.41132500  0.23034100  1
  Ti  Ti22  1  0.01021300  0.33273700  0.56340300  1
  Ti  Ti23  1  0.33273700  0.01021300  0.56340300  1
  O  O24  1  0.87708100  0.87708100  0.10157200  1
  O  O25  1  0.80161900  0.80161900  0.43748600  1
  O  O26  1  0.73942400  0.73942400  0.76229500  1
  O  O27  1  0.93630100  0.59267100  0.24152100  1
  O  O28  1  0.59267100  0.93630100  0.24152100  1
  O  O29  1  0.86831500  0.53482100  0.57008400  1
  O  O30  1  0.53482100  0.86831500  0.57008400  1
  O  O31  1  0.80465100  0.46891300  0.88465500  1
  O  O32  1  0.46891300  0.80465100  0.88465500  1
  O  O33  1  0.00205500  0.33522200  0.08638900  1
  O  O34  1  0.33522200  0.00205500  0.08638900  1
  O  O35  1  0.66182800  0.66182800  0.08208800  1
  O  O36  1  0.96492200  0.30010700  0.38179500  1
  O  O37  1  0.30010700  0.96492200  0.38179500  1
  O  O38  1  0.61989600  0.61989600  0.39203700  1
  O  O39  1  0.57153400  0.57153400  0.70138500  1
  O  O40  1  0.90678700  0.23752200  0.70301700  1
  O  O41  1  0.23752200  0.90678700  0.70301700  1
  O  O42  1  0.17213200  0.82786800  0.00000000  1
  O  O43  1  0.50000000  0.50000000  0.00000000  1
  O  O44  1  0.82786800  0.17213200  0.00000000  1
  O  O45  1  0.76247800  0.09321300  0.29698300  1
  O  O46  1  0.42846600  0.42846600  0.29861500  1
  O  O47  1  0.09321300  0.76247800  0.29698300  1
  O  O48  1  0.03507800  0.69989300  0.61820500  1
  O  O49  1  0.69989300  0.03507800  0.61820500  1
  O  O50  1  0.38010400  0.38010400  0.60796300  1
  O  O51  1  0.66477800  0.99794500  0.91361100  1
  O  O52  1  0.33817200  0.33817200  0.91791200  1
  O  O53  1  0.99794500  0.66477800  0.91361100  1
  O  O54  1  0.19534900  0.53108700  0.11534500  1
  O  O55  1  0.53108700  0.19534900  0.11534500  1
  O  O56  1  0.13168500  0.46517900  0.42991600  1
  O  O57  1  0.46517900  0.13168500  0.42991600  1
  O  O58  1  0.06369900  0.40732900  0.75847900  1
  O  O59  1  0.40732900  0.06369900  0.75847900  1
  O  O60  1  0.26057600  0.26057600  0.23770500  1
  O  O61  1  0.19838100  0.19838100  0.56251400  1
  O  O62  1  0.12291900  0.12291900  0.89842800  1
