data_[Ba1Te1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.6657]
_cell_length_b [5.6657]
_cell_length_c [5.5762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [BaTeWO6]
_chemical_formula_sum '[Ba1 Te1 W1 O6]'
_cell_volume [155.0128]
_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  0.3333  0.6667  0.0433  1.0
  Te  Te1  1  0.0000  0.0000  0.4739  1.0
  W  W2  1  0.6667  0.3333  0.5362  1.0
  O  O3  3  0.3342  0.2292  0.2895  1.0
  O  O4  3  0.4115  0.0249  0.6924  1.0
]