data_CdSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi
_chemical_formula_sum   'Cd2 Si2'
_cell_volume   88.4
_cell_formula_units_Z   2
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  0.16  0.25  0.37  1.0
  Cd  Cd1  1  0.0  0.49  0.11  1.0
  Si  Si2  1  0.16  0.25  0.11  1.0
  Si  Si3  1  0.0  0.49  0.37  1.0

data_CdSi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdSi
_chemical_formula_sum   'Cd2 Si2'
_cell_volume   88.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.08  0.88  0.13  1.0
  Si  Si1  2  0.08  0.88  0.87  1.0

Cd Cd Si Si