data_W3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   138.1
_cell_angle_beta   138.1
_cell_angle_gamma   60.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3O
_chemical_formula_sum   'W3 O1'
_cell_volume   58.6
_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
  W  W1  1  0.0  0.0  0.4  1.0
  W  W2  1  0.0  0.82  0.2  1.0
  W  W3  1  0.82  0.0  0.2  1.0
  O  O0  1  0.0  0.0  0.0  1.0

data_W3O
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   120.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   W3O
_chemical_formula_sum   'W6 O2'
_cell_volume   117.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  W  W0  4  0.21  0.41  0.62  1.0
  W  W1  2  0.1  0.5  0.6  1.0
  O  O2  2  0.0  0.0  0.0  1.0

W W W O
W W W O 0 2 - o o 0 1 o - o 0 3 o o o 1 3 o + o 2 3 + o o 