data_[Ba2Tb2Mo2O12]
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 [C2]
_cell_length_a [5.5708]
_cell_length_b [10.0536]
_cell_length_c [5.6113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaTbMoO6]
_chemical_formula_sum '[Ba2 Tb2 Mo2 O12]'
_cell_volume [314.1367]
_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  2  0.0000  0.0012  0.0000  1
  Tb  Tb1  2  0.0000  0.3333  0.5000  1
  Mo  Mo2  2  0.0000  0.6551  0.5000  1
  O  O3  4  0.1270  0.5201  0.3067  1
  O  O4  4  0.1591  0.7990  0.2979  1
  O  O5  4  0.2227  0.1861  0.2950  1
]