data_NaTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2P
_chemical_formula_sum   'Na1 Tc2 P1'
_cell_volume   67.04
_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
  Tc  Tc2  1  0.47  0.47  0.19  1.0
  Tc  Tc3  1  0.47  0.47  0.58  1.0
  P  P1  1  0.0  0.0  0.88  1.0

data_NaTc2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTc2P
_chemical_formula_sum   'Na2 Tc4 P2'
_cell_volume   134.07
_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
  Tc  Tc1  2  0.47  0.0  0.19  1.0
  Tc  Tc2  2  0.47  0.0  0.58  1.0
  P  P3  2  0.0  0.0  0.88  1.0

Na Tc Tc P
NaTc2P crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to four equivalent Tc(1) and one P(1) atom. There are a spread of Na(1)-Tc(1) bond distances ranging from 2.43-2.64 Å. The Na(1)-P(1) bond length is 0.91 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 4-coordinate geometry to four equivalent Na(1) and one Tc(2) atom. The Tc(1)-Tc(2) bond length is 3.04 Å. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to one Tc(1), four equivalent Tc(2), and four equivalent P(1) atoms. All Tc(2)-Tc(2) bond lengths are 2.94 Å. There are a spread of Tc(2)-P(1) bond distances ranging from 3.06-3.23 Å. P(1) is bonded in a single-bond geometry to one Na(1) and four equivalent Tc(2) atoms.