data_TiP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   124.92
_cell_angle_beta   115.74
_cell_angle_gamma   89.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiP2Pt
_chemical_formula_sum   'Ti1 P2 Pt1'
_cell_volume   59.01
_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
  P  P0  1  0.0  0.33  0.35  1.0
  P  P1  1  0.03  0.0  0.76  1.0
  Pt  Pt2  1  0.0  0.0  0.11  1.0

data_TiP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   64.26
_cell_angle_beta   62.46
_cell_angle_gamma   62.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiP2Pt
_chemical_formula_sum   'Ti1 P2 Pt1'
_cell_volume   59.01
_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
  P  P1  1  0.35  0.0  0.98  1.0
  P  P2  1  0.73  0.03  0.24  1.0
  Pt  Pt3  1  0.11  0.0  0.89  1.0

Ti P P Pt