# generated using pymatgen
data_KBa2Nb3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83478968
_cell_length_b   5.83478968
_cell_length_c   7.13863800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBa2Nb3O9
_chemical_formula_sum   'K1 Ba2 Nb3 O9'
_cell_volume   210.47301371
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.32974900  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.67025100  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.83657100  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.16342900  1.0
  O  O6  1  0.66375900  0.83188000  0.33590700  1.0
  O  O7  1  0.33624100  0.16812000  0.66409300  1.0
  O  O8  1  0.00000000  0.50000000  0.00000000  1.0
  O  O9  1  0.83188000  0.66375900  0.66409300  1.0
  O  O10  1  0.50000000  0.00000000  0.00000000  1.0
  O  O11  1  0.16812000  0.33624100  0.33590700  1.0
  O  O12  1  0.83188000  0.16812000  0.66409300  1.0
  O  O13  1  0.50000000  0.50000000  0.00000000  1.0
  O  O14  1  0.16812000  0.83188000  0.33590700  1.0