data_CdMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.42
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoW2
_chemical_formula_sum   'Cd1 Mo1 W2'
_cell_volume   67.86
_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  0.34  0.21  0.86  1.0
  Mo  Mo1  1  0.0  0.0  0.33  1.0
  W  W2  1  0.34  0.21  0.01  1.0
  W  W3  1  0.0  0.0  0.36  1.0

data_CdMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.42
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoW2
_chemical_formula_sum   'Cd1 Mo1 W2'
_cell_volume   67.86
_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  0.34  0.21  0.86  1.0
  Mo  Mo1  1  0.0  0.0  0.33  1.0
  W  W2  1  0.0  0.0  0.36  1.0
  W  W3  1  0.34  0.21  0.01  1.0

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