data_AlVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCu
_chemical_formula_sum   'Al6 V6 Cu6'
_cell_volume   245.13
_cell_formula_units_Z   6
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  0.97  0.78  0.0  1.0
  Al  Al1  1  0.49  0.31  0.0  1.0
  Al  Al2  1  0.05  0.0  0.0  1.0
  Al  Al3  1  0.97  0.78  0.86  1.0
  Al  Al4  1  0.49  0.31  0.86  1.0
  Al  Al5  1  0.05  0.0  0.86  1.0
  V  V12  1  0.84  0.84  0.43  1.0
  V  V13  1  0.27  0.3  0.43  1.0
  V  V14  1  0.89  0.04  0.43  1.0
  V  V15  1  0.36  0.25  0.29  1.0
  V  V16  1  0.78  0.79  0.29  1.0
  V  V17  1  0.41  0.05  0.29  1.0
  Cu  Cu6  1  0.0  0.0  0.43  1.0
  Cu  Cu7  1  0.0  0.0  0.29  1.0
  Cu  Cu8  1  0.52  0.03  0.11  1.0
  Cu  Cu9  1  0.52  0.03  0.75  1.0
  Cu  Cu10  1  0.0  0.06  0.61  1.0
  Cu  Cu11  1  0.0  0.06  0.97  1.0

data_AlVCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.72
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCu
_chemical_formula_sum   'Al6 V6 Cu6'
_cell_volume   245.13
_cell_formula_units_Z   6
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  0.05  0.0  1.0
  Al  Al1  1  0.0  0.49  0.31  1.0
  Al  Al2  1  0.0  0.97  0.78  1.0
  Al  Al3  1  0.86  0.05  0.0  1.0
  Al  Al4  1  0.86  0.49  0.31  1.0
  Al  Al5  1  0.86  0.97  0.78  1.0
  V  V6  1  0.29  0.36  0.25  1.0
  V  V7  1  0.29  0.41  0.05  1.0
  V  V8  1  0.29  0.78  0.79  1.0
  V  V9  1  0.43  0.27  0.3  1.0
  V  V10  1  0.43  0.84  0.84  1.0
  V  V11  1  0.43  0.89  0.04  1.0
  Cu  Cu12  1  0.11  0.52  0.03  1.0
  Cu  Cu13  1  0.29  0.0  0.0  1.0
  Cu  Cu14  1  0.43  0.0  0.0  1.0
  Cu  Cu15  1  0.61  0.0  0.06  1.0
  Cu  Cu16  1  0.75  0.52  0.03  1.0
  Cu  Cu17  1  0.97  0.0  0.06  1.0

Al Al Al Al Al Al V V V V V V Cu Cu Cu Cu Cu Cu