data_Ti2PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   2.88
_cell_angle_alpha   96.46
_cell_angle_beta   96.46
_cell_angle_gamma   96.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PtCl
_chemical_formula_sum   'Ti2 Pt1 Cl1'
_cell_volume   64.43
_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  0.35  0.79  0.42  1.0
  Ti  Ti3  1  0.35  0.21  0.42  1.0
  Pt  Pt1  1  0.18  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ti2PtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   96.67
_cell_angle_beta   96.46
_cell_angle_gamma   96.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PtCl
_chemical_formula_sum   'Ti2 Pt1 Cl1'
_cell_volume   64.43
_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  0.42  0.35  0.21  1.0
  Ti  Ti1  1  0.42  0.35  0.79  1.0
  Pt  Pt2  1  0.0  0.18  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ti Ti Pt Cl
Ti Ti Pt Cl 0 1 o + o 0 2 o + o 0 2 o + + 1 2 o o o 2 3 o o o 