data_Al2CdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.83
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdW
_chemical_formula_sum   'Al2 Cd1 W1'
_cell_volume   67.78
_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
  Al  Al0  1  0.49  0.91  0.31  1.0
  Al  Al1  1  0.49  0.91  0.64  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.97  1.0

data_Al2CdW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.83
_cell_length_b   2.98
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2CdW
_chemical_formula_sum   'Al2 Cd1 W1'
_cell_volume   67.78
_cell_formula_units_Z   1
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
  Al  Al0  1  0.91  0.5  0.31  1.0
  Al  Al1  1  0.91  0.5  0.64  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.97  1.0

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