data_TiTeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTeP2
_chemical_formula_sum   'Ti1 Te1 P2'
_cell_volume   70.93
_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
  Te  Te2  1  0.93  0.0  0.0  1.0
  P  P0  1  0.46  0.79  0.69  1.0
  P  P1  1  0.46  0.21  0.69  1.0

data_TiTeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   101.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTeP2
_chemical_formula_sum   'Ti1 Te1 P2'
_cell_volume   70.93
_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
  Te  Te1  1  0.0  0.93  0.0  1.0
  P  P2  1  0.69  0.46  0.21  1.0
  P  P3  1  0.69  0.46  0.79  1.0

Ti Te P P
Ti Te P P 0 1 - o o 2 3 o + o 
TiP2Te crystallizes in the triclinic P1 space group. Ti(1) is bonded in a single-bond geometry to one P(1), two equivalent P(2), and one Te(1) atom. The Ti(1)-P(1) bond length is 2.73 Å. There is one shorter (2.41 Å) and one longer (3.20 Å) Ti(1)-P(2) bond length. The Ti(1)-Te(1) bond length is 0.34 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Ti(1), two equivalent P(2), and one Te(1) atom. There is one shorter (1.95 Å) and one longer (2.67 Å) P(1)-P(2) bond length. The P(1)-Te(1) bond length is 2.41 Å. In the second P site, P(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1), two equivalent P(1), and one Te(1) atom. The P(2)-Te(1) bond length is 2.73 Å. Te(1) is bonded in a single-bond geometry to one Ti(1), one P(1), and one P(2) atom.