data_LiW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.47
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   98.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiW3
_chemical_formula_sum   'Li1 W3'
_cell_volume   62.06
_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  0.04  0.24  0.9  1.0
  W  W2  1  0.95  0.0  0.6  1.0
  W  W3  1  0.86  0.24  0.3  1.0

data_LiW3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.47
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   98.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiW3
_chemical_formula_sum   'Li1 W3'
_cell_volume   62.06
_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  0.04  0.24  0.9  1.0
  W  W2  1  0.86  0.24  0.3  1.0
  W  W3  1  0.95  0.0  0.6  1.0

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