data_Al3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Si5
_chemical_formula_sum   'Al3 Si5'
_cell_volume   120.91
_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
  Al  Al1  1  0.68  0.97  0.07  1.0
  Al  Al2  1  0.68  0.03  0.07  1.0
  Si  Si3  1  0.68  0.0  0.0  1.0
  Si  Si4  1  0.84  0.01  0.0  1.0
  Si  Si5  1  0.84  0.99  0.0  1.0
  Si  Si6  1  0.5  0.0  0.07  1.0
  Si  Si7  1  0.85  0.0  0.07  1.0

data_Al3Si5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   94.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Si5
_chemical_formula_sum   'Al3 Si5'
_cell_volume   120.91
_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
  Al  Al1  1  0.07  0.68  0.03  1.0
  Al  Al2  1  0.07  0.68  0.97  1.0
  Si  Si3  1  0.0  0.68  0.0  1.0
  Si  Si4  1  0.0  0.84  0.01  1.0
  Si  Si5  1  0.0  0.84  0.99  1.0
  Si  Si6  1  0.07  0.5  0.0  1.0
  Si  Si7  1  0.07  0.85  0.0  1.0

Al Al Al Si Si Si Si Si