data_LiW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.13
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiW2Au
_chemical_formula_sum   'Li1 W2 Au1'
_cell_volume   63.83
_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  0.0  0.0  0.26  1.0
  W  W2  1  0.33  0.06  0.03  1.0
  W  W3  1  0.0  0.0  0.36  1.0
  Au  Au0  1  0.33  0.06  0.05  1.0

data_LiW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.13
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiW2Au
_chemical_formula_sum   'Li1 W2 Au1'
_cell_volume   63.83
_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  0.0  0.0  0.26  1.0
  W  W1  1  0.0  0.0  0.36  1.0
  W  W2  1  0.33  0.06  0.03  1.0
  Au  Au3  1  0.33  0.06  0.05  1.0

Li W W Au
Li W W Au 0 2 o o o 1 3 o o o 