data_Li2AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   150.8
_cell_angle_beta   127.13
_cell_angle_gamma   61.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlW
_chemical_formula_sum   'Li2 Al1 W1'
_cell_volume   57.54
_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  0.34  0.0  0.03  1.0
  Li  Li2  1  0.0  0.0  0.09  1.0
  Al  Al0  1  0.0  0.0  0.97  1.0
  W  W3  1  0.0  0.36  0.03  1.0

data_Li2AlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.72
_cell_length_c   5.3
_cell_angle_alpha   116.43
_cell_angle_beta   104.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlW
_chemical_formula_sum   'Li2 Al1 W1'
_cell_volume   57.54
_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  0.3  0.97  0.3  1.0
  Li  Li1  1  0.91  0.91  0.91  1.0
  Al  Al2  1  0.03  0.03  0.03  1.0
  W  W3  1  0.97  0.34  0.34  1.0

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