data_Y(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   134.77
_cell_angle_beta   99.14
_cell_angle_gamma   97.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(AlCu)6
_chemical_formula_sum   'Y1 Al6 Cu6'
_cell_volume   189.66
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.03  1.0
  Al  Al2  1  0.0  0.0  0.66  1.0
  Al  Al3  1  0.0  0.61  0.0  1.0
  Al  Al4  1  0.0  0.97  0.0  1.0
  Al  Al5  1  0.0  0.29  0.58  1.0
  Al  Al6  1  0.54  0.0  0.77  1.0
  Cu  Cu7  1  0.73  0.14  0.17  1.0
  Cu  Cu8  1  0.27  0.14  0.17  1.0
  Cu  Cu9  1  0.27  0.14  0.83  1.0
  Cu  Cu10  1  0.27  0.86  0.17  1.0
  Cu  Cu11  1  0.54  0.96  0.0  1.0
  Cu  Cu12  1  0.0  0.33  0.35  1.0

data_Y(AlCu)6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   80.86
_cell_angle_beta   67.38
_cell_angle_gamma   67.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(AlCu)6
_chemical_formula_sum   'Y1 Al6 Cu6'
_cell_volume   189.66
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  -0.0  -0.0  0.61  1.0
  Al  Al2  1  -0.0  -0.0  0.97  1.0
  Al  Al3  1  0.03  -0.0  0.97  1.0
  Al  Al4  1  0.22  0.54  0.23  1.0
  Al  Al5  1  0.58  -0.0  0.71  1.0
  Al  Al6  1  0.66  -0.0  0.34  1.0
  Cu  Cu7  1  0.35  -0.0  0.99  1.0
  Cu  Cu8  1  0.44  0.73  0.97  1.0
  Cu  Cu9  1  0.46  0.54  0.96  1.0
  Cu  Cu10  1  0.56  0.27  0.32  1.0
  Cu  Cu11  1  0.9  0.27  0.68  1.0
  Cu  Cu12  1  0.9  0.27  0.97  1.0

Y Al Al Al Al Al Al Cu Cu Cu Cu Cu Cu