data_[Ba2W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1970]
_cell_length_b [5.9028]
_cell_length_c [7.8411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaWO4]
_chemical_formula_sum '[Ba2 W2 O8]'
_cell_volume [187.8547]
_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  0.1782  0.2500  0.3230  1.0
  W  W1  2  0.3530  0.2500  0.8227  1.0
  O  O2  4  0.3166  0.0284  0.6490  1.0
  O  O3  2  0.0808  0.7500  0.1630  1.0
  O  O4  2  0.5000  0.0000  0.0000  1.0
]