data_TiSi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   149.35
_cell_angle_beta   121.95
_cell_angle_gamma   67.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2Pt
_chemical_formula_sum   'Ti1 Si2 Pt1'
_cell_volume   60.75
_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  Ti3  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.38  0.0  0.27  1.0
  Si  Si2  1  0.0  0.53  0.08  1.0
  Pt  Pt0  1  0.0  0.0  0.35  1.0

data_TiSi2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.06
_cell_length_c   5.22
_cell_angle_alpha   119.02
_cell_angle_beta   105.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2Pt
_chemical_formula_sum   'Ti1 Si2 Pt1'
_cell_volume   60.75
_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  0.0  0.0  1.0
  Si  Si1  1  0.11  0.73  0.11  1.0
  Si  Si2  1  0.92  0.45  0.45  1.0
  Pt  Pt3  1  0.65  0.65  0.65  1.0

Ti Si Si Pt