data_AlVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   4.05
_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   'Al3 V3 Cu3'
_cell_volume   125.49
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.45  0.02  1.0
  Al  Al2  1  0.99  0.73  0.02  1.0
  V  V6  1  0.17  0.0  0.0  1.0
  V  V7  1  0.41  0.75  0.0  1.0
  V  V8  1  0.41  0.44  0.0  1.0
  Cu  Cu3  1  0.42  0.0  0.02  1.0
  Cu  Cu4  1  0.29  0.23  0.02  1.0
  Cu  Cu5  1  0.28  0.95  0.02  1.0

data_AlVCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   5.98
_cell_length_c   5.98
_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   'Al3 V3 Cu3'
_cell_volume   125.49
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.02  0.0  0.45  1.0
  Al  Al2  1  0.02  0.99  0.73  1.0
  V  V3  1  0.0  0.17  0.0  1.0
  V  V4  1  0.0  0.41  0.75  1.0
  V  V5  1  0.0  0.41  0.44  1.0
  Cu  Cu6  1  0.02  0.28  0.95  1.0
  Cu  Cu7  1  0.02  0.29  0.23  1.0
  Cu  Cu8  1  0.02  0.42  0.0  1.0

Al Al Al V V V Cu Cu Cu