data_PrAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrAlCu
_chemical_formula_sum   'Pr3 Al3 Cu3'
_cell_volume   190.61
_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
  Pr  Pr6  1  0.22  0.0  0.0  1.0
  Pr  Pr7  1  0.5  0.61  0.0  1.0
  Pr  Pr8  1  0.89  0.65  0.0  1.0
  Al  Al0  1  0.66  0.0  0.11  1.0
  Al  Al1  1  0.17  0.43  0.11  1.0
  Al  Al2  1  0.79  0.83  0.11  1.0
  Cu  Cu3  1  0.61  0.09  0.11  1.0
  Cu  Cu4  1  0.0  0.17  0.11  1.0
  Cu  Cu5  1  0.0  0.0  0.0  1.0

data_PrAlCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrAlCu
_chemical_formula_sum   'Pr3 Al3 Cu3'
_cell_volume   190.61
_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
  Pr  Pr0  1  -0.0  0.89  0.65  1.0
  Pr  Pr1  1  -0.0  0.22  0.0  1.0
  Pr  Pr2  1  -0.0  0.5  0.61  1.0
  Al  Al3  1  0.11  0.17  0.43  1.0
  Al  Al4  1  0.11  0.66  0.0  1.0
  Al  Al5  1  0.11  0.79  0.83  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.11  0.0  0.17  1.0
  Cu  Cu8  1  0.11  0.61  0.09  1.0

Pr Pr Pr Al Al Al Cu Cu Cu