data_Al2Cu5Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   7.31
_cell_angle_alpha   149.18
_cell_angle_beta   149.18
_cell_angle_gamma   44.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu5Si
_chemical_formula_sum   'Al2 Cu5 Si1'
_cell_volume   102.4
_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  0.42  1.0
  Al  Al1  1  0.0  0.0  0.14  1.0
  Cu  Cu2  1  0.0  0.0  0.78  1.0
  Cu  Cu3  1  0.0  0.94  0.66  1.0
  Cu  Cu4  1  0.94  0.0  0.66  1.0
  Cu  Cu5  1  0.94  0.0  0.12  1.0
  Cu  Cu6  1  0.0  0.94  0.12  1.0
  Si  Si7  1  0.0  0.0  0.0  1.0

data_Al2Cu5Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   112.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2Cu5Si
_chemical_formula_sum   'Al4 Cu10 Si2'
_cell_volume   204.79
_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
  Al  Al0  2  0.14  0.0  0.14  1.0
  Al  Al1  2  0.42  0.0  0.42  1.0
  Cu  Cu2  4  0.15  0.03  0.18  1.0
  Cu  Cu3  4  0.19  0.47  0.71  1.0
  Si  Si4  2  0.0  0.0  0.0  1.0
  Cu  Cu5  2  0.28  0.5  0.78  1.0

Al Al Cu Cu Cu Cu Cu Si