# generated using pymatgen
data_Ba4LiNb3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88723519
_cell_length_b   5.88723519
_cell_length_c   19.40103000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4LiNb3O12
_chemical_formula_sum   'Ba8 Li2 Nb6 O24'
_cell_volume   582.34215674
_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  0.66666700  0.33333300  0.25095200  1
  Ba  Ba1  1  0.33333300  0.66666700  0.75095200  1
  Ba  Ba2  1  0.66666700  0.33333300  0.87104400  1
  Ba  Ba3  1  0.33333300  0.66666700  0.37104400  1
  Ba  Ba4  1  0.66666700  0.33333300  0.64409700  1
  Ba  Ba5  1  0.33333300  0.66666700  0.14409700  1
  Ba  Ba6  1  0.00000000  0.00000000  0.50111700  1
  Ba  Ba7  1  0.00000000  0.00000000  0.00111700  1
  Li  Li8  1  0.00000000  0.00000000  0.16602700  1
  Li  Li9  1  0.00000000  0.00000000  0.66602700  1
  Nb  Nb10  1  0.66666700  0.33333300  0.43996300  1
  Nb  Nb11  1  0.33333300  0.66666700  0.93996300  1
  Nb  Nb12  1  0.66666700  0.33333300  0.06770300  1
  Nb  Nb13  1  0.33333300  0.66666700  0.56770300  1
  Nb  Nb14  1  0.00000000  0.00000000  0.80836500  1
  Nb  Nb15  1  0.00000000  0.00000000  0.30836500  1
  O  O16  1  0.84068400  0.68136800  0.75671400  1
  O  O17  1  0.15931600  0.31863200  0.25671400  1
  O  O18  1  0.68136800  0.84068400  0.25671400  1
  O  O19  1  0.84068400  0.15931600  0.75671400  1
  O  O20  1  0.16955700  0.83044300  0.87832500  1
  O  O21  1  0.33911500  0.16955700  0.37832500  1
  O  O22  1  0.83044300  0.66088500  0.37832500  1
  O  O23  1  0.16955700  0.33911500  0.87832500  1
  O  O24  1  0.66088500  0.83044300  0.87832500  1
  O  O25  1  0.83044300  0.16955700  0.37832500  1
  O  O26  1  0.17294300  0.82705700  0.61840600  1
  O  O27  1  0.34588700  0.17294300  0.11840600  1
  O  O28  1  0.15931600  0.84068400  0.25671400  1
  O  O29  1  0.31863200  0.15931600  0.75671400  1
  O  O30  1  0.49863600  0.50136400  0.99680000  1
  O  O31  1  0.99727200  0.49863600  0.49680000  1
  O  O32  1  0.50136400  0.00272800  0.49680000  1
  O  O33  1  0.49863600  0.99727200  0.99680000  1
  O  O34  1  0.00272800  0.50136400  0.99680000  1
  O  O35  1  0.50136400  0.49863600  0.49680000  1
  O  O36  1  0.82705700  0.17294300  0.11840600  1
  O  O37  1  0.65411300  0.82705700  0.61840600  1
  O  O38  1  0.17294300  0.34588700  0.61840600  1
  O  O39  1  0.82705700  0.65411300  0.11840600  1
