data_AlCdSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.75
_cell_angle_alpha   96.5
_cell_angle_beta   96.5
_cell_angle_gamma   35.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdSi2
_chemical_formula_sum   'Al1 Cd1 Si2'
_cell_volume   73.51
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.16  0.0  0.85  1.0
  Si  Si2  1  0.74  0.0  0.62  1.0
  Si  Si3  1  0.59  0.0  0.09  1.0

data_AlCdSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.73
_cell_length_c   5.75
_cell_angle_alpha   96.5
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdSi2
_chemical_formula_sum   'Al1 Cd1 Si2'
_cell_volume   73.51
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.84  0.15  1.0
  Si  Si2  1  0.0  0.26  0.38  1.0
  Si  Si3  1  0.0  0.41  0.91  1.0

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