data_CdSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   9.97
_cell_angle_alpha   16.58
_cell_angle_beta   16.58
_cell_angle_gamma   16.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi3
_chemical_formula_sum   'Cd1 Si3'
_cell_volume   70.31
_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  0.74  1.0
  Si  Si1  1  0.0  0.0  0.79  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.69  1.0

data_CdSi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   2.87
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSi3
_chemical_formula_sum   'Cd2 Si6'
_cell_volume   140.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.26  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Si  Si2  2  0.0  0.0  0.21  1.0
  Si  Si3  2  0.0  0.0  0.31  1.0

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