data_Li2SnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   137.95
_cell_angle_beta   137.95
_cell_angle_gamma   60.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SnMo
_chemical_formula_sum   'Li2 Sn1 Mo1'
_cell_volume   69.55
_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  0.93  0.32  1.0
  Li  Li1  1  0.93  0.0  0.32  1.0
  Sn  Sn3  1  0.0  0.0  0.65  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Li2SnMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   120.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2SnMo
_chemical_formula_sum   'Li4 Sn2 Mo2'
_cell_volume   139.1
_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  4  0.03  0.03  0.39  1.0
  Sn  Sn1  2  0.0  0.0  0.65  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

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