data_NaMnTc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnTc4
_chemical_formula_sum   'Na1 Mn1 Tc4'
_cell_volume   94.93
_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
  Mn  Mn0  1  0.81  0.81  0.81  1.0
  Tc  Tc2  1  0.72  0.53  0.72  1.0
  Tc  Tc3  1  0.53  0.72  0.72  1.0
  Tc  Tc4  1  0.53  0.53  0.53  1.0
  Tc  Tc5  1  0.72  0.72  0.53  1.0

data_NaMnTc4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaMnTc4
_chemical_formula_sum   'Na3 Mn3 Tc12'
_cell_volume   284.8
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Mn  Mn1  3  0.0  0.0  0.19  1.0
  Tc  Tc2  9  0.13  0.06  0.35  1.0
  Tc  Tc3  3  0.0  0.0  0.47  1.0

Na Mn Tc Tc Tc Tc
Na Mn Tc Tc Tc Tc 0 1 - - - 0 5 - - o 0 2 - o - 0 3 o - - 1 5 o o o 1 3 o o o 1 2 o o o 2 3 o o o 2 5 o o o 2 4 o o o 3 5 o o o 3 4 o o o 4 5 o o o 
NaTc4Mn crystallizes in the trigonal R3m space group. Na(1) is bonded in a trigonal pyramidal geometry to three equivalent Tc(1) and one Mn(1) atom. All Na(1)-Tc(1) bond lengths are 2.40 Å. The Na(1)-Mn(1) bond length is 2.38 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(2) is bonded in a 6-coordinate geometry to three equivalent Tc(1) and three equivalent Mn(1) atoms. All Tc(2)-Tc(1) bond lengths are 1.69 Å. All Tc(2)-Mn(1) bond lengths are 3.02 Å. In the second Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Na(1), one Tc(2), two equivalent Tc(1), and one Mn(1) atom. Both Tc(1)-Tc(1) bond lengths are 0.97 Å. The Tc(1)-Mn(1) bond length is 2.06 Å. Mn(1) is bonded in a 7-coordinate geometry to one Na(1), three equivalent Tc(1), and three equivalent Tc(2) atoms.