data_CdSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   140.71
_cell_angle_beta   122.9
_cell_angle_gamma   71.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSb2W
_chemical_formula_sum   'Cd1 Sb2 W1'
_cell_volume   88.22
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.86  0.0  0.35  1.0
  Sb  Sb2  1  0.0  0.64  0.13  1.0
  W  W3  1  0.0  0.0  0.49  1.0

data_CdSb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.29
_cell_length_c   5.53
_cell_angle_alpha   118.55
_cell_angle_beta   109.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSb2W
_chemical_formula_sum   'Cd1 Sb2 W1'
_cell_volume   88.22
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.35  0.5  1.0
  Sb  Sb2  1  0.36  0.49  0.49  1.0
  W  W3  1  0.0  0.49  0.49  1.0

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