data_[Ba2Sc4W2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sc  1.3600  1.6000  0.8850
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.8060]
_cell_length_b [6.8245]
_cell_length_c [7.3262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BaSc2WO8]
_chemical_formula_sum '[Ba2 Sc4 W2 O16]'
_cell_volume [340.2833]
_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  0.0000  0.5000  1
  Sc  Sc1  4  0.0000  0.5000  0.2079  1
  W  W2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.1967  0.0000  0.1920  1
  O  O4  4  0.0000  0.2921  0.0000  1
  O  O5  4  0.0000  0.3901  0.5000  1
]