data_TiSiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   156.72
_cell_angle_beta   156.72
_cell_angle_gamma   33.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiSn
_chemical_formula_sum   'Ti1 Si1 Sn1'
_cell_volume   57.53
_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  0.77  1.0
  Si  Si0  1  0.0  0.0  0.4  1.0
  Sn  Sn1  1  0.0  0.0  0.32  1.0

data_TiSiSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   106.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiSiSn
_chemical_formula_sum   'Ti2 Si2 Sn2'
_cell_volume   115.06
_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
  Ti  Ti0  2  0.27  0.5  0.77  1.0
  Si  Si1  2  0.4  0.0  0.4  1.0
  Sn  Sn2  2  0.32  0.0  0.32  1.0

Ti Si Sn