data_Li2AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.53
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlW
_chemical_formula_sum   'Li2 Al1 W1'
_cell_volume   62.61
_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
  Li  Li1  1  0.32  0.27  0.36  1.0
  Li  Li2  1  0.32  0.27  0.87  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.61  1.0

data_Li2AlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.53
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlW
_chemical_formula_sum   'Li2 Al1 W1'
_cell_volume   62.61
_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
  Li  Li0  1  0.32  0.27  0.36  1.0
  Li  Li1  1  0.32  0.27  0.87  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.61  1.0

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