data_Al4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   99.36
_cell_angle_beta   99.36
_cell_angle_gamma   132.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Si
_chemical_formula_sum   'Al4 Si1'
_cell_volume   79.89
_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  0.54  0.27  0.0  1.0
  Al  Al1  1  0.27  0.81  0.0  1.0
  Al  Al2  1  0.64  0.9  0.98  1.0
  Al  Al3  1  0.9  0.36  0.98  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0

data_Al4Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   80.64
_cell_angle_beta   66.22
_cell_angle_gamma   66.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Si
_chemical_formula_sum   'Al4 Si1'
_cell_volume   79.89
_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  0.27  0.0  0.27  1.0
  Al  Al1  1  0.38  0.98  0.54  1.0
  Al  Al2  1  0.81  0.0  0.46  1.0
  Al  Al3  1  0.92  0.98  0.73  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0

Al Al Al Al Si