data_AlW5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlW5
_chemical_formula_sum   'Al1 W5'
_cell_volume   95.72
_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  0.6  0.49  0.24  1.0
  W  W2  1  0.6  0.72  0.0  1.0
  W  W3  1  0.6  0.0  0.24  1.0
  W  W4  1  0.6  0.28  0.0  1.0
  W  W5  1  0.6  0.51  0.24  1.0

data_AlW5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.47
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   103.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlW5
_chemical_formula_sum   'Al1 W5'
_cell_volume   95.72
_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  0.76  0.4  1.0
  W  W2  1  0.28  -0.0  0.68  1.0
  W  W3  1  0.49  0.76  0.89  1.0
  W  W4  1  0.51  0.76  0.92  1.0
  W  W5  1  0.72  0.0  0.12  1.0

Al W W W W W
Al W W W W W 0 2 - - o 1 5 o o o 1 4 o o o 2 3 o + o 3 4 o o o 4 5 o o o 