data_CdSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   7.43
_cell_angle_alpha   107.09
_cell_angle_beta   107.09
_cell_angle_gamma   28.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2
_chemical_formula_sum   'Cd2 Si4'
_cell_volume   108.94
_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  0.05  0.0  0.61  1.0
  Cd  Cd1  1  0.78  0.0  0.47  1.0
  Si  Si2  1  0.51  0.0  0.98  1.0
  Si  Si3  1  0.74  0.0  0.17  1.0
  Si  Si4  1  0.33  0.0  0.1  1.0
  Si  Si5  1  0.09  0.0  0.91  1.0

data_CdSi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.78
_cell_length_b   5.71
_cell_length_c   7.43
_cell_angle_alpha   107.09
_cell_angle_beta   90.0
_cell_angle_gamma   104.06
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdSi2
_chemical_formula_sum   'Cd2 Si4'
_cell_volume   108.94
_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  0.0  0.14  0.07  1.0
  Si  Si1  2  0.0  0.17  0.37  1.0
  Si  Si2  2  0.0  0.41  0.56  1.0

Cd Cd Si Si Si Si
Cd Cd Si Si Si Si 0 1 - o o 2 4 o o + 2 3 o o + 4 5 o o - 