data_Ti3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   149.37
_cell_angle_beta   63.84
_cell_angle_gamma   125.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Pt
_chemical_formula_sum   'Ti3 Pt1'
_cell_volume   66.21
_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  Ti1  1  0.0  0.13  0.75  1.0
  Ti  Ti2  1  0.0  0.0  0.7  1.0
  Ti  Ti3  1  0.0  0.11  0.75  1.0
  Pt  Pt0  1  0.0  0.62  0.45  1.0

data_Ti3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.99
_cell_length_c   5.44
_cell_angle_alpha   117.26
_cell_angle_beta   105.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Pt
_chemical_formula_sum   'Ti3 Pt1'
_cell_volume   66.21
_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  Ti0  1  0.0  0.3  0.3  1.0
  Ti  Ti1  1  0.11  0.36  0.36  1.0
  Ti  Ti2  1  0.13  0.38  0.38  1.0
  Pt  Pt3  1  0.62  0.17  0.17  1.0

Ti Ti Ti Pt