data_TiSn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   134.83
_cell_angle_beta   134.83
_cell_angle_gamma   65.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Mo
_chemical_formula_sum   'Ti1 Sn2 Mo1'
_cell_volume   76.16
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.5  1.0
  Sn  Sn2  1  0.0  0.06  0.25  1.0
  Mo  Mo0  1  0.06  0.0  0.25  1.0

data_TiSn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.36
_cell_angle_alpha   112.58
_cell_angle_beta   112.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Mo
_chemical_formula_sum   'Ti1 Sn2 Mo1'
_cell_volume   76.16
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.19  0.25  0.19  1.0
  Sn  Sn2  1  0.5  0.5  0.5  1.0
  Mo  Mo3  1  0.25  0.19  0.19  1.0

Ti Sn Sn Mo