data_[Ba2Nd1Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0052]
_cell_length_b [6.0170]
_cell_length_c [6.0330]
_cell_angle_alpha [119.6548]
_cell_angle_beta [119.7789]
_cell_angle_gamma [90.0091]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2NdMoO6]
_chemical_formula_sum '[Ba2 Nd1 Mo1 O6]'
_cell_volume [155.4423]
_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  2  0.2494  0.7475  0.4989  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  Mo  Mo2  1  0.5000  0.5000  0.0000  1
  O  O3  2  0.2325  0.3085  0.0000  1
  O  O4  2  0.2631  0.2798  0.5386  1
  O  O5  2  0.3146  0.7734  0.0139  1
]