data_LiSbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   155.86
_cell_angle_beta   155.86
_cell_angle_gamma   34.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSbMo
_chemical_formula_sum   'Li1 Sb1 Mo1'
_cell_volume   59.32
_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  0.35  1.0
  Sb  Sb2  1  0.0  0.0  0.22  1.0
  Mo  Mo1  1  0.0  0.0  0.49  1.0

data_LiSbMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSbMo
_chemical_formula_sum   'Li2 Sb2 Mo2'
_cell_volume   118.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.35  0.0  0.35  1.0
  Sb  Sb1  2  0.22  0.0  0.22  1.0
  Mo  Mo2  2  0.49  0.0  0.49  1.0

Li Sb Mo
Li Sb Mo 0 1 o o o 0 2 o o o 