data_AlSn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   3.68
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2W
_chemical_formula_sum   'Al1 Sn2 W1'
_cell_volume   87.86
_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  0.66  1.0
  Sn  Sn1  1  0.48  0.84  0.58  1.0
  Sn  Sn2  1  0.0  0.0  0.54  1.0
  W  W3  1  0.48  0.84  0.4  1.0

data_AlSn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.68
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2W
_chemical_formula_sum   'Al1 Sn2 W1'
_cell_volume   87.86
_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  0.66  1.0
  Sn  Sn1  1  0.0  0.0  0.54  1.0
  Sn  Sn2  1  0.48  0.84  0.58  1.0
  W  W3  1  0.48  0.84  0.4  1.0

Al Sn Sn W
Al Sn Sn W 0 2 o o o 0 1 o - o 0 1 - - o 1 2 o + o 1 2 + + o 1 3 o o o 