# generated using pymatgen
data_Ba4LiTa3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86322629
_cell_length_b   5.86322629
_cell_length_c   19.35660800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000328
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4LiTa3O12
_chemical_formula_sum   'Ba8 Li2 Ta6 O24'
_cell_volume   576.27951836
_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  0.00000000  0.00000000  0.00299700  1
  Ba  Ba1  1  0.00000000  0.00000000  0.50299700  1
  Ba  Ba2  1  0.33333300  0.66666700  0.14502300  1
  Ba  Ba3  1  0.66666700  0.33333300  0.64502300  1
  Ba  Ba4  1  0.33333300  0.66666700  0.36958700  1
  Ba  Ba5  1  0.66666700  0.33333300  0.86958700  1
  Ba  Ba6  1  0.66666700  0.33333300  0.24812600  1
  Ba  Ba7  1  0.33333300  0.66666700  0.74812600  1
  Li  Li8  1  0.00000000  0.00000000  0.16619400  1
  Li  Li9  1  0.00000000  0.00000000  0.66619400  1
  Ta  Ta10  1  0.00000000  0.00000000  0.30996200  1
  Ta  Ta11  1  0.00000000  0.00000000  0.80996200  1
  Ta  Ta12  1  0.33333300  0.66666700  0.56582300  1
  Ta  Ta13  1  0.66666700  0.33333300  0.06582300  1
  Ta  Ta14  1  0.33333300  0.66666700  0.93947300  1
  Ta  Ta15  1  0.66666700  0.33333300  0.43947300  1
  O  O16  1  0.84133700  0.68267500  0.75778900  1
  O  O17  1  0.15866300  0.31732500  0.25778900  1
  O  O18  1  0.68267500  0.84133700  0.25778900  1
  O  O19  1  0.84133700  0.15866300  0.75778900  1
  O  O20  1  0.16944300  0.83055700  0.87892600  1
  O  O21  1  0.33888700  0.16944300  0.37892600  1
  O  O22  1  0.83055700  0.66111300  0.37892600  1
  O  O23  1  0.16944300  0.33888700  0.87892600  1
  O  O24  1  0.66111300  0.83055700  0.87892600  1
  O  O25  1  0.83055700  0.16944300  0.37892600  1
  O  O26  1  0.17380800  0.82619200  0.61769100  1
  O  O27  1  0.34761700  0.17380800  0.11769100  1
  O  O28  1  0.15866300  0.84133700  0.25778900  1
  O  O29  1  0.31732500  0.15866300  0.75778900  1
  O  O30  1  0.49855800  0.50144200  0.99653200  1
  O  O31  1  0.99711600  0.49855800  0.49653200  1
  O  O32  1  0.50144200  0.00288400  0.49653200  1
  O  O33  1  0.49855800  0.99711600  0.99653200  1
  O  O34  1  0.00288400  0.50144200  0.99653200  1
  O  O35  1  0.50144200  0.49855800  0.49653200  1
  O  O36  1  0.82619200  0.17380800  0.11769100  1
  O  O37  1  0.65238300  0.82619200  0.61769100  1
  O  O38  1  0.17380800  0.34761700  0.61769100  1
  O  O39  1  0.82619200  0.65238300  0.11769100  1
