data_Al2VW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.2
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VW
_chemical_formula_sum   'Al2 V1 W1'
_cell_volume   59.25
_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  0.51  0.1  0.94  1.0
  Al  Al1  1  0.04  0.1  0.29  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.43  0.0  0.62  1.0

data_Al2VW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.2
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VW
_chemical_formula_sum   'Al2 V1 W1'
_cell_volume   59.25
_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  0.04  0.1  0.29  1.0
  Al  Al1  1  0.51  0.1  0.94  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.43  0.0  0.62  1.0

Al Al V W
Al Al V W 0 2 o o + 0 2 + o + 0 3 o o o 1 2 o o o 1 3 o o o 