data_Li2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.17
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   103.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SbMo
_chemical_formula_sum   'Li2 Sb1 Mo1'
_cell_volume   71.16
_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  0.65  0.0  0.13  1.0
  Li  Li1  1  0.02  0.09  0.31  1.0
  Sb  Sb3  1  0.89  0.09  0.11  1.0
  Mo  Mo2  1  0.42  0.0  0.96  1.0

data_Li2SbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.17
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   103.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SbMo
_chemical_formula_sum   'Li2 Sb1 Mo1'
_cell_volume   71.16
_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  0.02  0.09  0.31  1.0
  Li  Li1  1  0.65  0.0  0.13  1.0
  Sb  Sb2  1  0.89  0.09  0.11  1.0
  Mo  Mo3  1  0.42  0.0  0.96  1.0

Li Li Sb Mo
Li Li Sb Mo 0 2 o o o 0 1 + o o 0 3 o o - 1 2 - o o 