data_[Ba2Tb1Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  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 [5.9900]
_cell_length_b [6.0138]
_cell_length_c [6.0229]
_cell_angle_alpha [119.3466]
_cell_angle_beta [119.3033]
_cell_angle_gamma [90.9764]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2TbMoO6]
_chemical_formula_sum '[Ba2 Tb1 Mo1 O6]'
_cell_volume [155.2124]
_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  0.7480  0.9981  1.0
  Tb  Tb1  1  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  1  0.5000  0.5000  0.5000  1.0
  O  O3  2  0.2366  0.7112  0.5016  1.0
  O  O4  2  0.2670  0.2697  0.0243  1.0
  O  O5  2  0.2920  0.2358  0.4890  1.0
]