data_LiSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   137.78
_cell_angle_beta   137.78
_cell_angle_gamma   61.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2W
_chemical_formula_sum   'Li1 Sb2 W1'
_cell_volume   79.1
_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
  Sb  Sb1  1  0.02  0.0  0.42  1.0
  Sb  Sb2  1  0.0  0.0  0.83  1.0
  W  W3  1  0.0  0.02  0.42  1.0

data_LiSb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.62
_cell_angle_alpha   111.11
_cell_angle_beta   111.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2W
_chemical_formula_sum   'Li1 Sb2 W1'
_cell_volume   79.1
_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
  Sb  Sb1  1  0.17  0.0  0.17  1.0
  Sb  Sb2  1  0.58  0.0  0.61  1.0
  W  W3  1  0.61  0.02  0.61  1.0

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