data_Al2CdSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdSi
_chemical_formula_sum   'Al2 Cd1 Si1'
_cell_volume   72.09
_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
  Al  Al0  1  0.5  0.5  0.99  1.0
  Al  Al1  1  0.0  0.0  0.82  1.0
  Cd  Cd2  1  0.5  0.5  0.06  1.0
  Si  Si3  1  0.0  0.0  0.27  1.0

data_Al2CdSi
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Al2CdSi
_chemical_formula_sum   'Al2 Cd1 Si1'
_cell_volume   72.09
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Al  Al0  1  0.0  0.0  0.99  1.0
  Al  Al1  1  0.5  0.5  0.82  1.0
  Cd  Cd2  1  0.0  0.0  0.06  1.0
  Si  Si3  1  0.5  0.5  0.27  1.0

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