data_Cd2SiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiW
_chemical_formula_sum   'Cd2 Si1 W1'
_cell_volume   72.24
_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  0.34  0.72  0.47  1.0
  Cd  Cd1  1  0.34  0.28  0.47  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.69  0.0  0.0  1.0

data_Cd2SiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   118.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiW
_chemical_formula_sum   'Cd2 Si1 W1'
_cell_volume   72.24
_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  0.47  0.34  0.72  1.0
  Cd  Cd1  1  0.47  0.34  0.28  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  -0.0  0.69  0.0  1.0

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