data_Al3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.81
_cell_angle_alpha   96.16
_cell_angle_beta   96.16
_cell_angle_gamma   32.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3W
_chemical_formula_sum   'Al3 W1'
_cell_volume   62.94
_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  0.0  1.0
  Al  Al1  1  0.9  0.0  0.54  1.0
  Al  Al2  1  0.06  0.0  0.24  1.0
  W  W3  1  0.48  0.0  0.39  1.0

data_Al3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.81
_cell_length_c   4.95
_cell_angle_alpha   96.16
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3W
_chemical_formula_sum   'Al3 W1'
_cell_volume   62.94
_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  0.0  1.0
  Al  Al1  1  0.0  0.24  0.06  1.0
  Al  Al2  1  0.0  0.54  0.9  1.0
  W  W3  1  0.0  0.39  0.48  1.0

Al Al Al W