data_AlVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.05
_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   'Al2 V2 Cu2'
_cell_volume   81.47
_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  0.49  0.0  1.0
  Al  Al1  1  0.16  0.25  0.0  1.0
  V  V4  1  0.0  0.0  0.16  1.0
  V  V5  1  0.0  0.0  0.88  1.0
  Cu  Cu2  1  0.0  0.49  0.52  1.0
  Cu  Cu3  1  0.16  0.25  0.52  1.0

data_AlVCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.05
_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   'Al2 V2 Cu2'
_cell_volume   81.47
_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  0.49  0.0  1.0
  Al  Al1  1  0.16  0.25  -0.0  1.0
  V  V2  1  0.0  0.0  0.16  1.0
  V  V3  1  0.0  0.0  0.88  1.0
  Cu  Cu4  1  -0.0  0.49  0.52  1.0
  Cu  Cu5  1  0.16  0.25  0.52  1.0

Al Al V V Cu Cu
Al Al V V Cu Cu 0 1 o o o 1 3 o o - 1 2 o o o 2 3 o o - 4 5 o o o 