data_Ti2GaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   137.16
_cell_angle_beta   137.16
_cell_angle_gamma   62.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GaPt
_chemical_formula_sum   'Ti2 Ga1 Pt1'
_cell_volume   63.44
_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  Ti2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.89  0.0  0.22  1.0
  Ga  Ga0  1  0.0  0.0  0.43  1.0
  Pt  Pt1  1  0.0  0.89  0.22  1.0

data_Ti2GaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   5.18
_cell_angle_alpha   111.42
_cell_angle_beta   111.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GaPt
_chemical_formula_sum   'Ti2 Ga1 Pt1'
_cell_volume   63.44
_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
  Ti  Ti1  1  0.22  0.33  0.33  1.0
  Ga  Ga2  1  0.43  0.43  0.43  1.0
  Pt  Pt3  1  0.33  0.22  0.33  1.0

Ti Ti Ga Pt
Ti Ti Ga Pt 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o o 2 3 o - o 