data_Cd2BiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiW
_chemical_formula_sum   'Cd2 Bi1 W1'
_cell_volume   87.71
_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  Cd1  1  0.66  0.0  0.55  1.0
  Cd  Cd2  1  0.0  0.66  0.55  1.0
  Bi  Bi0  1  0.66  0.66  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Cd2BiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2BiW
_chemical_formula_sum   'Cd4 Bi2 W2'
_cell_volume   175.42
_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
  Cd  Cd0  4  0.33  0.33  0.55  1.0
  Bi  Bi1  2  0.16  0.5  0.0  1.0
  W  W2  2  0.0  0.0  0.0  1.0

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