data_SiSnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   140.1
_cell_angle_beta   123.07
_cell_angle_gamma   71.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSnMo2
_chemical_formula_sum   'Si1 Sn1 Mo2'
_cell_volume   67.44
_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
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.08  1.0
  Mo  Mo0  1  0.72  0.0  0.71  1.0
  Mo  Mo1  1  0.0  0.4  0.37  1.0

data_SiSnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.8
_cell_length_c   5.04
_cell_angle_alpha   118.47
_cell_angle_beta   109.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSnMo2
_chemical_formula_sum   'Si1 Sn1 Mo2'
_cell_volume   67.44
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.08  0.08  1.0
  Mo  Mo2  1  0.0  0.71  0.99  1.0
  Mo  Mo3  1  0.6  0.97  0.97  1.0

Si Sn Mo Mo