data_LiTeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.95
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   93.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeW2
_chemical_formula_sum   'Li1 Te1 W2'
_cell_volume   72.83
_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  0.0  1.0
  Te  Te1  1  0.4  0.0  0.38  1.0
  W  W2  1  0.99  0.48  0.76  1.0
  W  W3  1  0.82  0.48  0.0  1.0

data_LiTeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.77
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeW2
_chemical_formula_sum   'Li1 Te1 W2'
_cell_volume   72.83
_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  0.0  1.0
  Te  Te1  1  0.6  0.62  0.0  1.0
  W  W2  1  0.01  0.24  0.52  1.0
  W  W3  1  0.18  1.0  0.52  1.0

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