data_LiAl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   132.6
_cell_angle_beta   132.6
_cell_angle_gamma   69.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2W
_chemical_formula_sum   'Li1 Al2 W1'
_cell_volume   58.94
_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  Li2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.93  0.98  1.0
  Al  Al1  1  0.93  0.0  0.98  1.0
  W  W3  1  0.0  0.0  0.95  1.0

data_LiAl2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   124.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiAl2W
_chemical_formula_sum   'Li2 Al4 W2'
_cell_volume   117.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.49  0.47  0.95  1.0
  W  W2  2  0.05  0.0  0.05  1.0

Li Al Al W