data_TiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.79
_cell_length_c   2.66
_cell_angle_alpha   81.88
_cell_angle_beta   78.58
_cell_angle_gamma   19.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiP2
_chemical_formula_sum   'Ti1 P2'
_cell_volume   53.0
_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
  P  P0  1  0.71  0.04  0.52  1.0
  P  P1  1  0.71  0.04  0.69  1.0

data_TiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   7.79
_cell_angle_alpha   98.12
_cell_angle_beta   98.12
_cell_angle_gamma   99.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiP2
_chemical_formula_sum   'Ti1 P2'
_cell_volume   53.0
_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  0.52  0.29  0.25  1.0
  P  P2  1  0.69  0.29  0.25  1.0

Ti P P