data_TiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt
_chemical_formula_sum   'Ti2 Pt2'
_cell_volume   64.31
_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  0.45  0.49  0.1  1.0
  Ti  Ti3  1  0.45  0.51  0.3  1.0
  Pt  Pt0  1  0.45  0.87  0.1  1.0
  Pt  Pt1  1  0.45  0.13  0.3  1.0

data_TiPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.89
_cell_length_b   4.4
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiPt
_chemical_formula_sum   'Ti2 Pt2'
_cell_volume   64.31
_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  0.49  0.6  0.99  1.0
  Pt  Pt1  2  0.13  0.4  0.63  1.0

Ti Ti Pt Pt