data_Al5CuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   150.7
_cell_angle_beta   129.63
_cell_angle_gamma   59.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5CuSi2
_chemical_formula_sum   'Al5 Cu1 Si2'
_cell_volume   131.02
_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  0.78  0.62  0.55  1.0
  Al  Al2  1  0.0  0.38  0.57  1.0
  Al  Al3  1  0.0  0.38  0.68  1.0
  Al  Al4  1  0.78  0.62  0.45  1.0
  Cu  Cu5  1  0.0  1.0  0.0  1.0
  Si  Si6  1  0.0  0.0  0.75  1.0
  Si  Si7  1  0.0  0.0  0.5  1.0

data_Al5CuSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   6.0
_cell_length_c   7.05
_cell_angle_alpha   115.19
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5CuSi2
_chemical_formula_sum   'Al5 Cu1 Si2'
_cell_volume   131.02
_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  0.23  0.07  0.85  1.0
  Al  Al2  1  0.32  0.71  0.71  1.0
  Al  Al3  1  0.33  0.17  0.95  1.0
  Al  Al4  1  0.43  0.81  0.81  1.0
  Cu  Cu5  1  -0.0  1.0  1.0  1.0
  Si  Si6  1  0.25  0.25  0.25  1.0
  Si  Si7  1  0.5  0.5  0.5  1.0
