data_Al3(Fe2Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3(Fe2Si)2
_chemical_formula_sum   'Al6 Fe8 Si4'
_cell_volume   237.04
_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  0.84  0.87  0.74  1.0
  Al  Al1  1  0.84  0.13  0.61  1.0
  Al  Al2  1  0.84  0.87  0.12  1.0
  Al  Al3  1  0.84  0.13  0.98  1.0
  Al  Al4  1  0.84  0.42  0.43  1.0
  Al  Al5  1  0.84  0.58  0.29  1.0
  Fe  Fe6  1  0.84  0.51  0.06  1.0
  Fe  Fe7  1  0.84  0.49  0.2  1.0
  Fe  Fe8  1  0.84  0.51  0.53  1.0
  Fe  Fe9  1  0.84  0.49  0.66  1.0
  Fe  Fe10  1  0.84  0.92  0.43  1.0
  Fe  Fe11  1  0.84  0.08  0.29  1.0
  Fe  Fe12  1  0.84  0.43  0.43  1.0
  Fe  Fe13  1  0.84  0.57  0.29  1.0
  Si  Si14  1  0.84  0.75  0.54  1.0
  Si  Si15  1  0.84  0.25  0.68  1.0
  Si  Si16  1  0.84  0.75  0.05  1.0
  Si  Si17  1  0.84  0.25  0.18  1.0

data_Al3(Fe2Si)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.69
_cell_length_b   6.86
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.6
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al3(Fe2Si)2
_chemical_formula_sum   'Al6 Fe8 Si4'
_cell_volume   237.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.63  0.38  1.0
  Al  Al1  2  0.13  0.63  0.76  1.0
  Al  Al2  2  0.42  0.92  0.93  1.0
  Fe  Fe3  2  0.08  0.58  0.07  1.0
  Fe  Fe4  2  0.43  0.93  0.93  1.0
  Fe  Fe5  2  0.49  0.99  0.7  1.0
  Fe  Fe6  2  0.49  0.99  0.16  1.0
  Si  Si7  2  0.25  0.75  0.18  1.0
  Si  Si8  2  0.25  0.75  0.68  1.0

Al Al Al Al Al Al Fe Fe Fe Fe Fe Fe Fe Fe Si Si Si Si