data_AlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   147.38
_cell_angle_beta   127.46
_cell_angle_gamma   63.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlW2
_chemical_formula_sum   'Al1 W2'
_cell_volume   47.7
_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
  W  W1  1  0.0  0.0  0.76  1.0
  W  W2  1  0.0  0.0  0.46  1.0

data_AlW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.27
_cell_length_c   4.83
_cell_angle_alpha   116.27
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlW2
_chemical_formula_sum   'Al1 W2'
_cell_volume   47.7
_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
  W  W1  1  0.24  0.24  0.24  1.0
  W  W2  1  0.54  0.54  0.54  1.0

Al W W
Al W W 0 1 o o - 1 2 o o o 