data_Cd2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   24.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BW
_chemical_formula_sum   'Cd2 B1 W1'
_cell_volume   67.38
_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  0.59  0.0  0.28  1.0
  Cd  Cd2  1  0.0  0.0  0.45  1.0
  B  B0  1  0.0  0.0  0.96  1.0
  W  W3  1  0.59  0.0  0.65  1.0

data_Cd2BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.18
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   102.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BW
_chemical_formula_sum   'Cd2 B1 W1'
_cell_volume   67.38
_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  0.55  0.0  0.55  1.0
  Cd  Cd1  1  0.72  0.59  0.72  1.0
  B  B2  1  0.04  0.0  0.04  1.0
  W  W3  1  0.35  0.59  0.35  1.0

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