data_AlVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   152.4
_cell_angle_beta   152.4
_cell_angle_gamma   39.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCu
_chemical_formula_sum   'Al1 V1 Cu1'
_cell_volume   40.37
_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  0.73  1.0
  V  V2  1  0.0  0.0  0.23  1.0
  Cu  Cu1  1  0.0  0.0  0.63  1.0

data_AlVCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   109.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlVCu
_chemical_formula_sum   'Al2 V2 Cu2'
_cell_volume   80.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.27  1.0
  V  V1  2  0.0  0.0  0.77  1.0
  Cu  Cu2  2  0.0  0.0  0.37  1.0

Al V Cu