data_AlVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   7.5
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   115.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCu
_chemical_formula_sum   'Al4 V4 Cu4'
_cell_volume   164.38
_cell_formula_units_Z   4
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  0.32  0.11  0.88  1.0
  Al  Al1  1  0.03  0.87  0.35  1.0
  Al  Al2  1  0.01  0.39  0.27  1.0
  Al  Al3  1  0.29  0.64  0.81  1.0
  V  V8  1  0.07  0.43  0.63  1.0
  V  V9  1  0.23  0.18  0.45  1.0
  V  V10  1  0.26  0.08  0.52  1.0
  V  V11  1  0.1  0.33  0.71  1.0
  Cu  Cu4  1  0.45  0.96  0.95  1.0
  Cu  Cu5  1  0.85  0.21  0.13  1.0
  Cu  Cu6  1  0.88  0.55  0.2  1.0
  Cu  Cu7  1  0.47  0.3  0.03  1.0

data_AlVCu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.59
_cell_length_b   5.27
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.09
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlVCu
_chemical_formula_sum   'Al4 V4 Cu4'
_cell_volume   164.38
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.84  0.14  1.0
  Al  Al1  2  0.27  0.87  0.61  1.0
  V  V2  2  0.37  0.07  0.93  1.0
  V  V3  2  0.45  0.1  0.83  1.0
  Cu  Cu4  2  0.05  0.69  0.95  1.0
  Cu  Cu5  2  0.13  0.72  0.29  1.0

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