data_Al2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   142.02
_cell_angle_beta   124.67
_cell_angle_gamma   69.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuSi
_chemical_formula_sum   'Al2 Cu1 Si1'
_cell_volume   60.6
_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  0.3  0.98  1.0
  Al  Al1  1  0.61  0.0  0.1  1.0
  Cu  Cu2  1  0.0  0.0  0.08  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Al2CuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.6
_cell_length_c   4.96
_cell_angle_alpha   117.67
_cell_angle_beta   108.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuSi
_chemical_formula_sum   'Al2 Cu1 Si1'
_cell_volume   60.6
_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  0.1  0.49  1.0
  Al  Al1  1  0.7  0.68  0.68  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.08  0.08  1.0

Al Al Cu Si