data_CdW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   117.21
_cell_angle_beta   117.21
_cell_angle_gamma   117.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdW3
_chemical_formula_sum   'Cd1 W3'
_cell_volume   67.54
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.69  0.67  0.91  1.0
  W  W2  1  0.31  0.67  0.91  1.0
  W  W3  1  0.0  0.67  0.91  1.0

data_CdW3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   117.21
_cell_angle_beta   99.72
_cell_angle_gamma   99.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdW3
_chemical_formula_sum   'Cd1 W3'
_cell_volume   67.54
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.91  0.22  0.25  1.0
  W  W2  1  0.91  0.6  0.25  1.0
  W  W3  1  0.91  0.91  0.25  1.0

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