data_AlCu2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Si3
_chemical_formula_sum   'Al2 Cu4 Si6'
_cell_volume   179.0
_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  0.26  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.46  0.42  0.84  1.0
  Cu  Cu3  1  0.0  0.84  0.58  1.0
  Cu  Cu4  1  0.0  0.84  0.67  1.0
  Cu  Cu5  1  0.46  0.42  0.93  1.0
  Si  Si6  1  0.2  0.54  0.39  1.0
  Si  Si7  1  0.8  0.54  0.39  1.0
  Si  Si8  1  0.0  0.46  0.39  1.0
  Si  Si9  1  0.26  0.73  0.13  1.0
  Si  Si10  1  0.66  0.73  0.13  1.0
  Si  Si11  1  0.46  0.81  0.13  1.0

data_AlCu2Si3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Si3
_chemical_formula_sum   'Al2 Cu4 Si6'
_cell_volume   179.0
_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  0.0  0.26  1.0
  Si  Si2  1  0.0  0.46  0.39  1.0
  Cu  Cu3  1  0.0  0.84  0.58  1.0
  Cu  Cu4  1  0.0  0.84  0.67  1.0
  Si  Si5  1  0.2  0.54  0.39  1.0
  Si  Si6  1  0.26  0.73  0.13  1.0
  Cu  Cu7  1  0.46  0.42  0.84  1.0
  Cu  Cu8  1  0.46  0.42  0.93  1.0
  Si  Si9  1  0.46  0.81  0.13  1.0
  Si  Si10  1  0.66  0.73  0.13  1.0
  Si  Si11  1  0.8  0.54  0.39  1.0

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