# generated using pymatgen
data_Ba2NbMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83456267
_cell_length_b   5.83455958
_cell_length_c   5.83456080
_cell_angle_alpha   90.00024509
_cell_angle_beta   119.99984734
_cell_angle_gamma   119.99984839
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbMoO6
_chemical_formula_sum   'Ba2 Nb1 Mo1 O6'
_cell_volume   140.44640557
_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
  Ba  Ba0  1  0.50000100  0.75000100  0.24999900  1.0
  Ba  Ba1  1  0.50000000  0.25000000  0.75000000  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.49999900  1.0
  Mo  Mo3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.50870174  0.25435087  0.25434987  1.0
  O  O5  1  1.00000000  0.74564713  0.25434987  1.0
  O  O6  1  0.00000000  0.25435387  0.25435287  1.0
  O  O7  1  1.00000000  0.74564513  0.74564513  1.0
  O  O8  1  0.49129226  0.74564613  0.74564613  1.0
  O  O9  1  0.00000000  0.25435087  0.74564813  1.0