data_TiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.78
_cell_angle_alpha   111.24
_cell_angle_beta   111.24
_cell_angle_gamma   31.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt
_chemical_formula_sum   'Ti2 Pt2'
_cell_volume   63.38
_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  0.67  0.0  0.27  1.0
  Ti  Ti3  1  0.67  0.0  0.15  1.0
  Pt  Pt0  1  0.93  0.0  0.49  1.0
  Pt  Pt1  1  0.41  0.0  0.94  1.0

data_TiPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.83
_cell_length_b   4.78
_cell_length_c   5.26
_cell_angle_alpha   111.24
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiPt
_chemical_formula_sum   'Ti2 Pt2'
_cell_volume   63.38
_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  0.0  0.06  0.5  1.0
  Pt  Pt1  2  0.0  0.28  0.76  1.0

Ti Ti Pt Pt