data_CdB2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   150.27
_cell_angle_beta   148.34
_cell_angle_gamma   43.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdB2W
_chemical_formula_sum   'Cd1 B2 W1'
_cell_volume   53.03
_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  0.0  0.0  0.91  1.0
  B  B0  1  0.51  0.0  0.32  1.0
  B  B1  1  0.0  0.0  0.09  1.0
  W  W3  1  0.0  0.0  0.33  1.0

data_CdB2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.21
_cell_length_c   5.89
_cell_angle_alpha   105.83
_cell_angle_beta   104.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdB2W
_chemical_formula_sum   'Cd1 B2 W1'
_cell_volume   53.03
_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  0.09  0.09  0.09  1.0
  B  B1  1  0.19  0.68  0.19  1.0
  B  B2  1  0.91  0.91  0.91  1.0
  W  W3  1  0.67  0.67  0.67  1.0

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