data_AlW2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   13.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlW2C
_chemical_formula_sum   'Al2 W4 C2'
_cell_volume   107.58
_cell_formula_units_Z   2
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  0.5  0.87  0.3  1.0
  Al  Al1  1  0.0  0.74  0.43  1.0
  W  W2  1  0.5  0.87  0.63  1.0
  W  W3  1  0.0  0.74  0.11  1.0
  W  W4  1  0.0  0.74  0.5  1.0
  W  W5  1  0.5  0.87  0.24  1.0
  C  C6  1  0.0  0.0  0.87  1.0
  C  C7  1  0.0  0.0  0.0  1.0

data_AlW2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   13.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlW2C
_chemical_formula_sum   'Al2 W4 C2'
_cell_volume   107.58
_cell_formula_units_Z   2
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  0.74  0.43  1.0
  Al  Al1  1  0.5  0.87  0.3  1.0
  W  W2  1  0.0  0.74  0.11  1.0
  W  W3  1  0.0  0.74  0.5  1.0
  W  W4  1  0.5  0.87  0.24  1.0
  W  W5  1  0.5  0.87  0.63  1.0
  C  C6  1  0.0  0.0  0.0  1.0
  C  C7  1  0.0  0.0  0.87  1.0

Al Al W W W W C C
Al Al W W W W C C 0 5 o o o 1 4 o o o 1 2 o o o 2 4 o o o 2 4 + o o 2 4 + + o 2 2 + + o 2 2 o + o 2 2 + o o 3 7 o + o 6 7 o o + 