data_NaInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   3.71
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInP2
_chemical_formula_sum   'Na1 In1 P2'
_cell_volume   94.28
_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  Na1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.14  0.0  0.05  1.0
  P  P2  1  0.83  0.86  0.02  1.0
  P  P3  1  0.45  0.86  0.09  1.0

data_NaInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.15
_cell_length_c   6.39
_cell_angle_alpha   107.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInP2
_chemical_formula_sum   'Na1 In1 P2'
_cell_volume   94.28
_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
  In  In1  1  0.0  0.86  0.95  1.0
  P  P2  1  0.14  0.17  0.98  1.0
  P  P3  1  0.14  0.55  0.91  1.0

Na In P P
Na In P P 0 1 o o o 0 2 - - o 1 3 o - o 
NaInP2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaInP2 cluster. Na(1) is bonded in a distorted bent 120 degrees geometry to one In(1) and one P(1) atom. The Na(1)-In(1) bond length is 0.58 Å. The Na(1)-P(1) bond length is 0.90 Å. In(1) is bonded in a distorted single-bond geometry to one Na(1) and one P(2) atom. The In(1)-P(2) bond length is 1.33 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a single-bond geometry to one Na(1) atom. In the second P site, P(2) is bonded in a distorted single-bond geometry to one In(1) atom.