data_Al2V2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   154.2
_cell_angle_beta   154.2
_cell_angle_gamma   36.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2V2Au
_chemical_formula_sum   'Al2 V2 Au1'
_cell_volume   82.26
_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  0.62  1.0
  Al  Al1  1  0.0  0.0  0.76  1.0
  V  V3  1  0.0  0.69  0.59  1.0
  V  V4  1  0.69  0.0  0.59  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0

data_Al2V2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2V2Au
_chemical_formula_sum   'Al4 V4 Au2'
_cell_volume   164.53
_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  0.24  1.0
  Al  Al1  2  0.0  0.0  0.38  1.0
  V  V2  4  0.35  0.35  0.1  1.0
  Au  Au3  2  0.0  0.0  0.0  1.0

Al Al V V Au