data_Ti2SnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SnPt
_chemical_formula_sum   'Ti2 Sn1 Pt1'
_cell_volume   69.21
_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  0.42  0.04  0.49  1.0
  Ti  Ti3  1  0.42  0.96  0.49  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.85  0.0  0.0  1.0

data_Ti2SnPt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.98
_cell_length_b   2.97
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   110.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ti2SnPt
_chemical_formula_sum   'Ti2 Sn1 Pt1'
_cell_volume   69.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.42  0.5  0.96  1.0
  Ti  Ti1  1  0.42  0.5  0.04  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.85  0.0  0.0  1.0

Ti Ti Sn Pt
Ti Ti Sn Pt 0 1 o - o 2 3 - o o 