data_YTi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2P
_chemical_formula_sum   'Y1 Ti2 P1'
_cell_volume   71.65
_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
  Y  Y3  1  0.05  0.05  0.0  1.0
  Ti  Ti1  1  0.0  0.05  0.13  1.0
  Ti  Ti2  1  0.05  0.0  0.13  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_YTi2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTi2P
_chemical_formula_sum   'Y2 Ti4 P2'
_cell_volume   143.31
_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+1/2, y+1/2, z'
  4  '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
  Y  Y0  2  0.05  0.0  -0.0  1.0
  Ti  Ti1  4  0.03  0.03  0.13  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Y Ti Ti P
Y Ti Ti P 0 3 o o o 1 2 o o o 
YTi2P is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YTi2P clusters. Y(1) is bonded in a single-bond geometry to two equivalent Ti(1) and one P(1) atom. Both Y(1)-Ti(1) bond lengths are 0.58 Å. The Y(1)-P(1) bond length is 0.31 Å. Ti(1) is bonded in a 3-coordinate geometry to one Y(1), one Ti(1), and one P(1) atom. The Ti(1)-Ti(1) bond length is 0.31 Å. The Ti(1)-P(1) bond length is 0.58 Å. P(1) is bonded in a distorted single-bond geometry to one Y(1) and two equivalent Ti(1) atoms.