data_NaTaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaP2
_chemical_formula_sum   'Na1 Ta1 P2'
_cell_volume   71.67
_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
  Ta  Ta3  1  0.0  0.0  0.54  1.0
  P  P1  1  0.59  0.59  0.14  1.0
  P  P2  1  0.59  0.59  0.95  1.0

data_NaTaP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTaP2
_chemical_formula_sum   'Na2 Ta2 P4'
_cell_volume   143.35
_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
  Ta  Ta1  2  0.0  0.0  0.54  1.0
  P  P2  2  0.09  0.5  0.14  1.0
  P  P3  2  0.09  0.5  0.95  1.0

Na Ta P P
Na Ta P P 0 3 - - - 0 3 - o - 0 3 o - - 0 2 - - o 0 1 o o o 0 1 o o - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 1 + o o 1 1 o + o 2 3 o o - 
NaTaP2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 1-coordinate geometry to one Ta(1), four equivalent P(1), and four equivalent P(2) atoms. The Na(1)-Ta(1) bond length is 3.23 Å. There are a spread of Na(1)-P(1) bond distances ranging from 2.10-2.84 Å. There are a spread of Na(1)-P(2) bond distances ranging from 1.88-2.68 Å. Ta(1) is bonded in a 7-coordinate geometry to one Na(1), four equivalent Ta(1), one P(1), and one P(2) atom. All Ta(1)-Ta(1) bond lengths are 3.18 Å. The Ta(1)-P(1) bond length is 3.39 Å. The Ta(1)-P(2) bond length is 3.39 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Ta(1), and one P(2) atom. The P(1)-P(2) bond length is 1.40 Å. In the second P site, P(2) is bonded in a 5-coordinate geometry to four equivalent Na(1), one Ta(1), and one P(1) atom.