data_CdSi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.34
_cell_angle_alpha   99.21
_cell_angle_beta   99.21
_cell_angle_gamma   40.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2W
_chemical_formula_sum   'Cd1 Si2 W1'
_cell_volume   69.81
_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
  Si  Si1  1  0.34  0.0  0.52  1.0
  Si  Si2  1  0.21  0.0  0.74  1.0
  W  W3  1  0.78  0.0  0.63  1.0

data_CdSi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.51
_cell_length_c   5.34
_cell_angle_alpha   99.21
_cell_angle_beta   90.0
_cell_angle_gamma   110.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2W
_chemical_formula_sum   'Cd1 Si2 W1'
_cell_volume   69.81
_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
  Si  Si1  1  0.0  0.66  0.48  1.0
  Si  Si2  1  0.0  0.79  0.26  1.0
  W  W3  1  0.0  0.22  0.37  1.0

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