data_Ti2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   49.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Pt
_chemical_formula_sum   'Ti4 Pt2'
_cell_volume   96.69
_cell_formula_units_Z   2
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  0.4  0.89  0.12  1.0
  Ti  Ti3  1  0.24  0.11  0.36  1.0
  Ti  Ti4  1  0.24  0.89  0.12  1.0
  Ti  Ti5  1  0.4  0.11  0.36  1.0
  Pt  Pt0  1  0.82  0.15  0.12  1.0
  Pt  Pt1  1  0.82  0.85  0.36  1.0

data_Ti2Pt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.32
_cell_angle_alpha   114.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ti2Pt
_chemical_formula_sum   'Ti4 Pt2'
_cell_volume   96.69
_cell_formula_units_Z   2
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  2  0.38  0.89  0.31  1.0
  Ti  Ti1  2  0.38  0.89  0.48  1.0
  Pt  Pt2  2  0.38  0.15  0.15  1.0

Ti Ti Ti Ti Pt Pt
Ti Ti Ti Ti Pt Pt 0 2 o o o 1 3 o o o 2 4 - + o 3 5 o - o 4 5 o - o 