data_[Ba1Cu1W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9645]
_cell_length_b [5.9430]
_cell_length_c [7.0693]
_cell_angle_alpha [106.3815]
_cell_angle_beta [92.1019]
_cell_angle_gamma [111.0565]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCu(WO4)2]
_chemical_formula_sum '[Ba1 Cu1 W2 O8]'
_cell_volume [184.5132]
_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  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  1  0.5000  0.0000  0.0000  1.0
  W  W2  2  0.2530  0.4667  0.1411  1.0
  O  O3  2  0.1620  0.7013  0.9855  1.0
  O  O4  2  0.2201  0.6434  0.3851  1.0
  O  O5  2  0.3053  0.1965  0.1952  1.0
  O  O6  2  0.3517  0.3096  0.8476  1.0
]