data_LiW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   143.73
_cell_angle_beta   134.1
_cell_angle_gamma   59.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiW2Au
_chemical_formula_sum   'Li1 W2 Au1'
_cell_volume   61.97
_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  0.0  1.0
  W  W2  1  0.0  0.06  0.32  1.0
  W  W3  1  0.64  0.0  0.25  1.0
  Au  Au0  1  0.0  0.0  0.58  1.0

data_LiW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.12
_cell_length_c   5.28
_cell_angle_alpha   112.95
_cell_angle_beta   108.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiW2Au
_chemical_formula_sum   'Li1 W2 Au1'
_cell_volume   61.97
_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  0.0  1.0
  W  W1  1  0.0  0.25  0.61  1.0
  W  W2  1  0.94  0.26  0.26  1.0
  Au  Au3  1  0.0  0.58  0.58  1.0

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