data_CdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   4.74
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdW
_chemical_formula_sum   'Cd4 W4'
_cell_volume   142.63
_cell_formula_units_Z   4
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  0.44  0.19  0.73  1.0
  Cd  Cd1  1  0.12  0.56  0.67  1.0
  Cd  Cd2  1  0.99  0.19  0.21  1.0
  Cd  Cd3  1  0.67  0.56  0.16  1.0
  W  W4  1  0.34  0.19  0.65  1.0
  W  W5  1  0.21  0.56  0.71  1.0
  W  W6  1  0.9  0.19  0.18  1.0
  W  W7  1  0.77  0.56  0.23  1.0

data_CdW
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.74
_cell_length_b   5.11
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdW
_chemical_formula_sum   'Cd4 W4'
_cell_volume   142.63
_cell_formula_units_Z   4
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
  Cd  Cd0  2  0.31  0.44  0.27  1.0
  Cd  Cd1  2  0.31  0.88  0.79  1.0
  W  W2  2  0.31  0.34  0.23  1.0
  W  W3  2  0.31  0.79  0.71  1.0

Cd Cd Cd Cd W W W W