data_[Cu2W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [4.7951]
_cell_length_b [4.9897]
_cell_length_c [5.9947]
_cell_angle_alpha [86.4515]
_cell_angle_beta [82.0656]
_cell_angle_gamma [85.6596]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuWO4]
_chemical_formula_sum '[Cu2 W2 O8]'
_cell_volume [141.4559]
_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
[
  Cu  Cu0  2  0.4943  0.7501  0.6530  1.0
  W  W1  2  0.0106  0.7439  0.1655  1.0
  O  O2  2  0.2135  0.0512  0.0866  1.0
  O  O3  2  0.2167  0.5686  0.8786  1.0
  O  O4  2  0.2484  0.5671  0.3459  1.0
  O  O5  2  0.2682  0.0958  0.6184  1.0
]