data_LiSi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2W
_chemical_formula_sum   'Li1 Si2 W1'
_cell_volume   55.23
_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
  Si  Si1  1  0.36  0.89  0.34  1.0
  Si  Si2  1  0.36  0.11  0.34  1.0
  W  W3  1  0.73  0.0  0.0  1.0

data_LiSi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   108.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2W
_chemical_formula_sum   'Li1 Si2 W1'
_cell_volume   55.23
_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
  Si  Si1  1  0.34  0.36  0.89  1.0
  Si  Si2  1  0.34  0.36  0.11  1.0
  W  W3  1  0.0  0.73  0.0  1.0

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