data_TiSnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnMo
_chemical_formula_sum   'Ti1 Sn1 Mo1'
_cell_volume   57.03
_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
  Ti  Ti2  1  0.0  0.0  0.54  1.0
  Sn  Sn1  1  0.59  0.92  0.12  1.0
  Mo  Mo0  1  1.0  0.83  0.42  1.0

data_TiSnMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnMo
_chemical_formula_sum   'Ti1 Sn1 Mo1'
_cell_volume   57.03
_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
  Ti  Ti0  1  0.0  0.0  0.54  1.0
  Sn  Sn1  1  0.59  0.92  0.12  1.0
  Mo  Mo2  1  1.0  0.83  0.42  1.0

Ti Sn Mo
Ti Sn Mo 0 2 - - o 0 1 - - o 1 2 - o o 1 2 o + o 1 2 o o o 1 1 + + o 1 1 o + o 1 1 + o o 