data_AlVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   150.51
_cell_angle_beta   147.68
_cell_angle_gamma   44.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCu
_chemical_formula_sum   'Al1 V1 Cu1'
_cell_volume   37.63
_cell_formula_units_Z   1
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  0.15  1.0
  V  V2  1  0.0  0.0  0.19  1.0
  Cu  Cu1  1  0.0  0.0  0.35  1.0

data_AlVCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.91
_cell_length_c   5.23
_cell_angle_alpha   106.16
_cell_angle_beta   104.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCu
_chemical_formula_sum   'Al1 V1 Cu1'
_cell_volume   37.63
_cell_formula_units_Z   1
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  0.85  0.85  0.85  1.0
  V  V1  1  0.81  0.81  0.81  1.0
  Cu  Cu2  1  0.65  0.65  0.65  1.0

Al V Cu
Al V Cu 0 1 o o o 1 2 o o o 