data_Al4VCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   30.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4VCu2
_chemical_formula_sum   'Al8 V2 Cu4'
_cell_volume   208.79
_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  0.7  1.0
  Al  Al1  1  0.0  0.0  0.22  1.0
  Al  Al2  1  0.0  0.61  0.14  1.0
  Al  Al3  1  0.4  0.81  0.67  1.0
  Al  Al4  1  0.0  0.0  0.19  1.0
  Al  Al5  1  0.0  0.0  0.72  1.0
  Al  Al6  1  0.4  0.81  0.88  1.0
  Al  Al7  1  0.0  0.61  0.4  1.0
  V  V12  1  0.0  0.0  0.74  1.0
  V  V13  1  0.0  0.0  0.27  1.0
  Cu  Cu8  1  0.4  0.81  0.17  1.0
  Cu  Cu9  1  0.0  0.61  0.69  1.0
  Cu  Cu10  1  0.0  0.61  0.67  1.0
  Cu  Cu11  1  0.4  0.81  0.2  1.0

data_Al4VCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   30.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4VCu2
_chemical_formula_sum   'Al8 V2 Cu4'
_cell_volume   208.79
_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  0.19  1.0
  Al  Al1  1  0.0  0.0  0.22  1.0
  Al  Al2  1  0.0  0.0  0.7  1.0
  Al  Al3  1  0.0  0.0  0.72  1.0
  Al  Al4  1  0.0  0.61  0.14  1.0
  Al  Al5  1  0.0  0.61  0.4  1.0
  Al  Al6  1  0.4  0.81  0.67  1.0
  Al  Al7  1  0.4  0.81  0.88  1.0
  V  V8  1  0.0  0.0  0.27  1.0
  V  V9  1  0.0  0.0  0.74  1.0
  Cu  Cu10  1  0.0  0.61  0.67  1.0
  Cu  Cu11  1  0.0  0.61  0.69  1.0
  Cu  Cu12  1  0.4  0.81  0.17  1.0
  Cu  Cu13  1  0.4  0.81  0.2  1.0

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