data_AlCu2Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   10.74
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Si5
_chemical_formula_sum   'Al2 Cu4 Si10'
_cell_volume   238.32
_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
  Al  Al0  1  0.18  0.37  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.42  0.1  0.74  1.0
  Cu  Cu3  1  0.94  0.64  0.74  1.0
  Cu  Cu4  1  0.12  0.73  0.74  1.0
  Cu  Cu5  1  0.24  0.01  0.74  1.0
  Si  Si6  1  0.18  0.0  0.0  1.0
  Si  Si7  1  0.0  0.37  0.0  1.0
  Si  Si8  1  0.56  0.25  0.0  1.0
  Si  Si9  1  0.8  0.49  0.0  1.0
  Si  Si10  1  0.62  0.88  0.0  1.0
  Si  Si11  1  0.74  0.86  0.0  1.0
  Si  Si12  1  0.72  0.48  0.74  1.0
  Si  Si13  1  0.64  0.26  0.74  1.0
  Si  Si14  1  0.82  0.11  0.74  1.0
  Si  Si15  1  0.54  0.63  0.74  1.0

data_AlCu2Si5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.36
_cell_length_c   10.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Si5
_chemical_formula_sum   'Al2 Cu4 Si10'
_cell_volume   238.32
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.18  0.37  1.0
  Si  Si2  1  0.0  0.18  0.0  1.0
  Si  Si3  1  0.0  0.56  0.25  1.0
  Si  Si4  1  0.0  0.74  0.86  1.0
  Si  Si5  1  0.0  0.0  0.37  1.0
  Si  Si6  1  0.0  0.62  0.88  1.0
  Si  Si7  1  0.0  0.8  0.49  1.0
  Cu  Cu8  1  0.74  0.12  0.73  1.0
  Cu  Cu9  1  0.74  0.24  0.01  1.0
  Cu  Cu10  1  0.74  0.42  0.1  1.0
  Si  Si11  1  0.74  0.54  0.63  1.0
  Si  Si12  1  0.74  0.64  0.26  1.0
  Si  Si13  1  0.74  0.72  0.48  1.0
  Si  Si14  1  0.74  0.82  0.11  1.0
  Cu  Cu15  1  0.74  0.94  0.64  1.0

Al Al Cu Cu Cu Cu Si Si Si Si Si Si Si Si Si Si