data_CdW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.25
_cell_angle_alpha   111.89
_cell_angle_beta   111.89
_cell_angle_gamma   33.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdW2Br
_chemical_formula_sum   'Cd1 W2 Br1'
_cell_volume   76.24
_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  0.13  0.0  0.22  1.0
  W  W2  1  0.13  0.0  0.36  1.0
  W  W3  1  0.07  0.0  0.77  1.0
  Br  Br0  1  0.31  0.0  0.74  1.0

data_CdW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.25
_cell_length_c   5.37
_cell_angle_alpha   111.89
_cell_angle_beta   106.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdW2Br
_chemical_formula_sum   'Cd1 W2 Br1'
_cell_volume   76.24
_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  0.22  0.13  1.0
  W  W1  1  0.0  0.36  0.13  1.0
  W  W2  1  0.0  0.77  0.07  1.0
  Br  Br3  1  0.0  0.74  0.31  1.0

Cd W W Br