data_Ti2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   32.66
_cell_angle_beta   32.66
_cell_angle_gamma   32.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AsP
_chemical_formula_sum   'Ti2 As1 P1'
_cell_volume   65.94
_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  0.66  1.0
  Ti  Ti3  1  0.0  0.0  0.33  1.0
  As  As0  1  0.0  0.0  0.99  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Ti2AsP
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.17
_cell_length_b   3.56
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   108.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Ti2AsP
_chemical_formula_sum   'Ti4 As2 P2'
_cell_volume   131.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.34  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Ti Ti As P
Ti2AsP crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ti2AsP clusters. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one As(1) atom. The Ti(1)-As(1) bond length is 2.14 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one P(1) atom. The Ti(2)-P(1) bond length is 2.09 Å. As(1) is bonded in a linear geometry to one Ti(1) and one P(1) atom. The As(1)-P(1) bond length is 0.05 Å. P(1) is bonded in a linear geometry to one Ti(2) and one As(1) atom.