data_Cd2MoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   4.33
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoW
_chemical_formula_sum   'Cd2 Mo1 W1'
_cell_volume   71.31
_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  0.72  0.0  0.39  1.0
  Cd  Cd1  1  0.0  0.17  0.39  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.72  0.17  0.0  1.0

data_Cd2MoW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.33
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoW
_chemical_formula_sum   'Cd2 Mo1 W1'
_cell_volume   71.31
_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  0.17  0.39  1.0
  Cd  Cd1  1  0.72  0.0  0.39  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.72  0.17  0.0  1.0

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