data_Al2VCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VCu3
_chemical_formula_sum   'Al4 V2 Cu6'
_cell_volume   160.92
_cell_formula_units_Z   2
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  0.75  0.0  0.0  1.0
  Al  Al2  1  0.63  0.38  0.0  1.0
  Al  Al3  1  0.37  0.38  0.0  1.0
  V  V10  1  0.0  0.17  0.12  1.0
  V  V11  1  0.75  0.59  0.04  1.0
  Cu  Cu4  1  0.6  0.98  0.12  1.0
  Cu  Cu5  1  0.0  0.56  0.12  1.0
  Cu  Cu6  1  0.4  0.98  0.12  1.0
  Cu  Cu7  1  0.14  0.78  0.04  1.0
  Cu  Cu8  1  0.35  0.78  0.04  1.0
  Cu  Cu9  1  0.75  0.2  0.04  1.0

data_Al2VCu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VCu3
_chemical_formula_sum   'Al4 V2 Cu6'
_cell_volume   160.92
_cell_formula_units_Z   2
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  0.37  0.38  0.0  1.0
  Al  Al2  1  0.63  0.38  0.0  1.0
  Al  Al3  1  0.75  0.0  0.0  1.0
  V  V4  1  -0.0  0.17  0.12  1.0
  V  V5  1  0.75  0.59  0.04  1.0
  Cu  Cu6  1  -0.0  0.56  0.12  1.0
  Cu  Cu7  1  0.14  0.78  0.04  1.0
  Cu  Cu8  1  0.35  0.78  0.04  1.0
  Cu  Cu9  1  0.4  0.98  0.12  1.0
  Cu  Cu10  1  0.6  0.98  0.12  1.0
  Cu  Cu11  1  0.75  0.2  0.04  1.0

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