# generated using pymatgen
data_Ba3LiTa3Ti5O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21835687
_cell_length_b   9.21835687
_cell_length_c   11.73045800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.29334046
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiTa3Ti5O21
_chemical_formula_sum   'Ba6 Li2 Ta6 Ti10 O42'
_cell_volume   860.71882705
_cell_formula_units_Z   2
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  0.59772500  0.00505000  0.25027600  1
  Ba  Ba1  1  0.40100000  0.40100000  0.24959000  1
  Ba  Ba2  1  0.59900000  0.59900000  0.74959000  1
  Ba  Ba3  1  0.99495000  0.40227500  0.75027600  1
  Ba  Ba4  1  0.00505000  0.59772500  0.25027600  1
  Ba  Ba5  1  0.40227500  0.99495000  0.75027600  1
  Li  Li6  1  0.99178000  0.99178000  0.75550600  1
  Li  Li7  1  0.00822000  0.00822000  0.25550600  1
  Ta  Ta8  1  0.24217200  0.24217200  0.58867400  1
  Ta  Ta9  1  0.66522200  0.33213500  0.49868200  1
  Ta  Ta10  1  0.66786500  0.33477800  0.99868200  1
  Ta  Ta11  1  0.33477800  0.66786500  0.99868200  1
  Ta  Ta12  1  0.33213500  0.66522200  0.49868200  1
  Ta  Ta13  1  0.75782800  0.75782800  0.08867400  1
  Ti  Ti14  1  0.25130300  0.25130300  0.91368500  1
  Ti  Ti15  1  0.99121500  0.24712200  0.40687300  1
  Ti  Ti16  1  0.00177300  0.25608600  0.08899300  1
  Ti  Ti17  1  0.74869700  0.74869700  0.41368500  1
  Ti  Ti18  1  0.00878500  0.75287800  0.90687300  1
  Ti  Ti19  1  0.99822700  0.74391400  0.58899300  1
  Ti  Ti20  1  0.25608600  0.00177300  0.08899300  1
  Ti  Ti21  1  0.24712200  0.99121500  0.40687300  1
  Ti  Ti22  1  0.75287800  0.00878500  0.90687300  1
  Ti  Ti23  1  0.74391400  0.99822700  0.58899300  1
  O  O24  1  0.20492900  0.99715300  0.24977000  1
  O  O25  1  0.19886400  0.19886400  0.42234700  1
  O  O26  1  0.19667500  0.19667500  0.75149000  1
  O  O27  1  0.48219100  0.16796500  0.10155000  1
  O  O28  1  0.48062900  0.16651600  0.40245800  1
  O  O29  1  0.79454200  0.99660900  0.07453200  1
  O  O30  1  0.79562600  0.00328000  0.42684200  1
  O  O31  1  0.48390800  0.31829100  0.60090900  1
  O  O32  1  0.48022300  0.31334600  0.90045700  1
  O  O33  1  0.68707900  0.16966000  0.59913400  1
  O  O34  1  0.68282400  0.16855600  0.89720200  1
  O  O35  1  0.83034000  0.31292100  0.09913400  1
  O  O36  1  0.83144400  0.31717600  0.39720200  1
  O  O37  1  0.68665400  0.51977700  0.40045700  1
  O  O38  1  0.68170900  0.51609200  0.10090900  1
  O  O39  1  0.99672000  0.20437400  0.92684200  1
  O  O40  1  0.00339100  0.20545800  0.57453200  1
  O  O41  1  0.99715300  0.20492900  0.24977000  1
  O  O42  1  0.83203500  0.51780900  0.60155000  1
  O  O43  1  0.83348400  0.51937100  0.90245800  1
  O  O44  1  0.20224300  0.20224300  0.07335100  1
  O  O45  1  0.80332500  0.80332500  0.25149000  1
  O  O46  1  0.80113600  0.80113600  0.92234700  1
  O  O47  1  0.79775700  0.79775700  0.57335100  1
  O  O48  1  0.16796500  0.48219100  0.10155000  1
  O  O49  1  0.16651600  0.48062900  0.40245800  1
  O  O50  1  0.00284700  0.79507100  0.74977000  1
  O  O51  1  0.99660900  0.79454200  0.07453200  1
  O  O52  1  0.00328000  0.79562600  0.42684200  1
  O  O53  1  0.31829100  0.48390800  0.60090900  1
  O  O54  1  0.31334600  0.48022300  0.90045700  1
  O  O55  1  0.16966000  0.68707900  0.59913400  1
  O  O56  1  0.16855600  0.68282400  0.89720200  1
  O  O57  1  0.31717600  0.83144400  0.39720200  1
  O  O58  1  0.31292100  0.83034000  0.09913400  1
  O  O59  1  0.51609200  0.68170900  0.10090900  1
  O  O60  1  0.51977700  0.68665400  0.40045700  1
  O  O61  1  0.20437400  0.99672000  0.92684200  1
  O  O62  1  0.20545800  0.00339100  0.57453200  1
  O  O63  1  0.51937100  0.83348400  0.90245800  1
  O  O64  1  0.51780900  0.83203500  0.60155000  1
  O  O65  1  0.79507100  0.00284700  0.74977000  1
