data_BaCdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   4.46
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdW2
_chemical_formula_sum   'Ba1 Cd1 W2'
_cell_volume   101.77
_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
  Ba  Ba0  1  0.0  0.0  0.62  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.58  0.23  0.14  1.0
  W  W3  1  0.58  0.23  0.1  1.0

data_BaCdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.46
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdW2
_chemical_formula_sum   'Ba1 Cd1 W2'
_cell_volume   101.77
_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
  Ba  Ba0  1  0.0  0.0  0.62  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.58  0.23  0.1  1.0
  W  W3  1  0.58  0.23  0.14  1.0

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