data_CuWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   52.43
_cell_angle_beta   52.43
_cell_angle_gamma   52.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuWO3
_chemical_formula_sum   'Cu2 W2 O6'
_cell_volume   107.64
_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  1  0.0  0.0  0.25  1.0
  Cu  Cu1  1  0.0  0.0  0.45  1.0
  W  W8  1  0.0  0.0  0.32  1.0
  W  W9  1  0.0  0.0  0.39  1.0
  O  O2  1  0.77  0.96  0.2  1.0
  O  O3  1  0.15  0.55  0.2  1.0
  O  O4  1  0.08  0.49  0.2  1.0
  O  O5  1  0.92  0.51  0.51  1.0
  O  O6  1  0.85  0.45  0.51  1.0
  O  O7  1  0.23  0.04  0.51  1.0

data_CuWO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.7
_cell_angle_alpha   63.79
_cell_angle_beta   63.79
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuWO3
_chemical_formula_sum   'Cu2 W2 O6'
_cell_volume   107.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.4  0.1  1.0
  W  W1  2  0.0  0.46  0.04  1.0
  O  O2  2  0.04  0.66  0.57  1.0
  O  O3  2  0.45  0.66  0.54  1.0
  O  O4  2  0.49  0.34  0.59  1.0

Cu Cu W W O O O O O O
Cu Cu W W O O O O O O 0 2 o o o 0 4 - - o 1 3 o o o 1 9 o o o 2 3 o o o 2 4 - - o 3 9 o o o 4 8 o o o 4 7 o o o 4 6 + o o 4 5 + o o 5 6 o o o 5 9 o o o 6 9 o o o 7 8 o o o 7 9 + o o 8 9 + o o 