data_Ti3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Pt
_chemical_formula_sum   'Ti12 Pt4'
_cell_volume   260.57
_cell_formula_units_Z   4
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  Ti4  1  0.6  0.42  0.0  1.0
  Ti  Ti5  1  0.6  0.42  0.81  1.0
  Ti  Ti6  1  0.0  0.57  0.22  1.0
  Ti  Ti7  1  0.56  0.06  0.22  1.0
  Ti  Ti8  1  0.36  0.79  0.41  1.0
  Ti  Ti9  1  0.8  0.0  0.0  1.0
  Ti  Ti10  1  0.8  0.0  0.81  1.0
  Ti  Ti11  1  0.4  0.42  0.0  1.0
  Ti  Ti12  1  0.4  0.42  0.81  1.0
  Ti  Ti13  1  0.44  0.06  0.22  1.0
  Ti  Ti14  1  0.23  0.79  0.41  1.0
  Ti  Ti15  1  0.8  0.27  0.41  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.81  1.0
  Pt  Pt2  1  0.0  0.23  0.41  1.0
  Pt  Pt3  1  0.8  0.61  0.22  1.0

data_Ti3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Pt
_chemical_formula_sum   'Ti12 Pt4'
_cell_volume   260.57
_cell_formula_units_Z   4
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  Ti0  1  0.0  0.57  0.22  1.0
  Ti  Ti1  1  0.23  0.79  0.41  1.0
  Ti  Ti2  1  0.36  0.79  0.41  1.0
  Ti  Ti3  1  0.4  0.42  0.0  1.0
  Ti  Ti4  1  0.4  0.42  0.81  1.0
  Ti  Ti5  1  0.44  0.06  0.22  1.0
  Ti  Ti6  1  0.56  0.06  0.22  1.0
  Ti  Ti7  1  0.6  0.42  0.0  1.0
  Ti  Ti8  1  0.6  0.42  0.81  1.0
  Ti  Ti9  1  0.8  0.0  0.0  1.0
  Ti  Ti10  1  0.8  0.0  0.81  1.0
  Ti  Ti11  1  0.8  0.27  0.41  1.0
  Pt  Pt12  1  0.0  0.0  0.0  1.0
  Pt  Pt13  1  0.0  0.0  0.81  1.0
  Pt  Pt14  1  0.0  0.23  0.41  1.0
  Pt  Pt15  1  0.8  0.61  0.22  1.0

Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Pt Pt Pt Pt