data_NaTi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   146.08
_cell_angle_beta   128.71
_cell_angle_gamma   62.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2P
_chemical_formula_sum   'Na1 Ti2 P1'
_cell_volume   74.0
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.62  0.0  0.93  1.0
  Ti  Ti3  1  0.0  0.41  0.81  1.0
  P  P1  1  0.0  0.0  0.74  1.0

data_NaTi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.81
_cell_length_c   5.56
_cell_angle_alpha   115.64
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2P
_chemical_formula_sum   'Na1 Ti2 P1'
_cell_volume   74.0
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.93  0.31  1.0
  Ti  Ti2  1  0.59  0.41  0.41  1.0
  P  P3  1  0.0  0.74  0.74  1.0

Na Ti Ti P
Na Ti Ti P 0 3 o o - 0 1 - o - 2 3 o o o 
NaTi2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaTi2P cluster. Na(1) is bonded in a 2-coordinate geometry to one Ti(1) and one P(1) atom. The Na(1)-Ti(1) bond length is 1.88 Å. The Na(1)-P(1) bond length is 1.43 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Na(1) atom. In the second Ti site, Ti(2) is bonded in a 1-coordinate geometry to one P(1) atom. The Ti(2)-P(1) bond length is 1.94 Å. P(1) is bonded in a 2-coordinate geometry to one Na(1) and one Ti(2) atom.