data_Al4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   95.1
_cell_angle_beta   95.1
_cell_angle_gamma   145.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Si5
_chemical_formula_sum   'Al4 Si5'
_cell_volume   136.89
_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  0.73  0.0  1.0
  Al  Al1  1  0.0  0.79  0.0  1.0
  Al  Al2  1  0.79  0.0  0.0  1.0
  Al  Al3  1  0.73  0.0  0.0  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.59  0.41  0.88  1.0
  Si  Si6  1  0.41  0.59  0.88  1.0
  Si  Si7  1  0.85  0.85  0.0  1.0
  Si  Si8  1  0.41  0.41  0.88  1.0

data_Al4Si5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.77
_cell_length_b   12.06
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   107.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al4Si5
_chemical_formula_sum   'Al8 Si10'
_cell_volume   273.78
_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  4  0.1  0.1  -0.0  1.0
  Al  Al1  4  0.13  0.13  -0.0  1.0
  Si  Si2  4  -0.0  0.41  0.12  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0
  Si  Si4  2  0.09  0.5  0.12  1.0
  Si  Si5  2  0.15  0.0  -0.0  1.0

Al Al Al Al Si Si Si Si Si