# generated using pymatgen
data_Ba4Nb3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92171917
_cell_length_b   5.92171917
_cell_length_c   19.45891100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Nb3O12
_chemical_formula_sum   'Ba8 Nb6 O24'
_cell_volume   590.94194836
_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  0.00983800  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.50983800  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.14548600  1.0
  Ba  Ba3  1  0.33333300  0.66666700  0.36930600  1.0
  Ba  Ba4  1  0.33333300  0.66666700  0.74383500  1.0
  Ba  Ba5  1  0.66666700  0.33333300  0.24383500  1.0
  Ba  Ba6  1  0.66666700  0.33333300  0.64548600  1.0
  Ba  Ba7  1  0.66666700  0.33333300  0.86930600  1.0
  Nb  Nb8  1  0.00000000  0.00000000  0.30334800  1.0
  Nb  Nb9  1  0.00000000  0.00000000  0.80334800  1.0
  Nb  Nb10  1  0.33333300  0.66666700  0.56498600  1.0
  Nb  Nb11  1  0.33333300  0.66666700  0.93629200  1.0
  Nb  Nb12  1  0.66666700  0.33333300  0.06498600  1.0
  Nb  Nb13  1  0.66666700  0.33333300  0.43629200  1.0
  O  O14  1  0.00525000  0.50262500  0.99438800  1.0
  O  O15  1  0.99475000  0.49737500  0.49438800  1.0
  O  O16  1  0.16333200  0.83666800  0.25876900  1.0
  O  O17  1  0.17643900  0.82356100  0.61614900  1.0
  O  O18  1  0.16982900  0.83017100  0.87715700  1.0
  O  O19  1  0.16333200  0.32666400  0.25876900  1.0
  O  O20  1  0.17643900  0.35287900  0.61614900  1.0
  O  O21  1  0.16982900  0.33965800  0.87715700  1.0
  O  O22  1  0.67333600  0.83666800  0.25876900  1.0
  O  O23  1  0.64712100  0.82356100  0.61614900  1.0
  O  O24  1  0.66034200  0.83017100  0.87715700  1.0
  O  O25  1  0.49737500  0.50262500  0.99438800  1.0
  O  O26  1  0.50262500  0.49737500  0.49438800  1.0
  O  O27  1  0.35287900  0.17643900  0.11614900  1.0
  O  O28  1  0.33965800  0.16982900  0.37715700  1.0
  O  O29  1  0.32666400  0.16333200  0.75876900  1.0
  O  O30  1  0.49737500  0.99475000  0.99438800  1.0
  O  O31  1  0.50262500  0.00525000  0.49438800  1.0
  O  O32  1  0.82356100  0.64712100  0.11614900  1.0
  O  O33  1  0.83017100  0.66034200  0.37715700  1.0
  O  O34  1  0.83666800  0.67333600  0.75876900  1.0
  O  O35  1  0.82356100  0.17643900  0.11614900  1.0
  O  O36  1  0.83017100  0.16982900  0.37715700  1.0
  O  O37  1  0.83666800  0.16333200  0.75876900  1.0