data_NaTiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   122.43
_cell_angle_beta   122.43
_cell_angle_gamma   85.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiP2
_chemical_formula_sum   'Na1 Ti1 P2'
_cell_volume   64.91
_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  Ti3  1  0.0  0.0  0.35  1.0
  P  P1  1  0.2  0.0  0.67  1.0
  P  P2  1  0.0  0.2  0.67  1.0

data_NaTiP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   132.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTiP2
_chemical_formula_sum   'Na2 Ti2 P4'
_cell_volume   129.82
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.15  0.5  0.65  1.0
  P  P2  4  0.43  0.1  0.53  1.0

Na Ti P P
Na Ti P P 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
NaTiP2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 5-coordinate geometry to one Ti(1) and four equivalent P(1) atoms. The Na(1)-Ti(1) bond length is 1.59 Å. There are two shorter (2.13 Å) and two longer (3.12 Å) Na(1)-P(1) bond lengths. Ti(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent P(1) atoms. Both Ti(1)-P(1) bond lengths are 1.26 Å. P(1) is bonded in a 1-coordinate geometry to two equivalent Na(1) and one Ti(1) atom.