data_YAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlCu
_chemical_formula_sum   'Y3 Al3 Cu3'
_cell_volume   173.54
_cell_formula_units_Z   3
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  Y6  1  0.13  0.0  0.0  1.0
  Y  Y7  1  0.93  0.58  0.0  1.0
  Y  Y8  1  0.46  0.53  0.0  1.0
  Al  Al0  1  0.66  0.0  0.02  1.0
  Al  Al1  1  0.17  0.43  0.02  1.0
  Al  Al2  1  0.7  0.67  0.02  1.0
  Cu  Cu3  1  0.0  0.07  0.02  1.0
  Cu  Cu4  1  0.52  0.03  0.02  1.0
  Cu  Cu5  1  0.0  0.0  0.0  1.0

data_YAlCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlCu
_chemical_formula_sum   'Y3 Al3 Cu3'
_cell_volume   173.54
_cell_formula_units_Z   3
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  0.93  0.58  1.0
  Y  Y1  1  -0.0  0.46  0.53  1.0
  Y  Y2  1  0.0  0.13  0.0  1.0
  Al  Al3  1  0.02  0.17  0.43  1.0
  Al  Al4  1  0.02  0.66  0.0  1.0
  Al  Al5  1  0.02  0.7  0.67  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.02  0.0  0.07  1.0
  Cu  Cu8  1  0.02  0.52  0.03  1.0

Y Y Y Al Al Al Cu Cu Cu