data_CdWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.7
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdWBr2
_chemical_formula_sum   'Cd1 W1 Br2'
_cell_volume   91.11
_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  Cd2  1  0.61  0.35  0.0  1.0
  W  W3  1  0.0  0.35  0.02  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.61  0.0  0.02  1.0

data_CdWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.7
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdWBr2
_chemical_formula_sum   'Cd1 W1 Br2'
_cell_volume   91.11
_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  0.61  0.35  0.0  1.0
  W  W1  1  -0.0  0.35  0.02  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.61  0.0  0.02  1.0

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