data_NaTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84
_cell_length_b   10.84
_cell_length_c   10.84
_cell_angle_alpha   15.18
_cell_angle_beta   15.18
_cell_angle_gamma   15.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Zn
_chemical_formula_sum   'Na1 Ta2 Zn1'
_cell_volume   76.22
_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  Ta1  1  0.0  0.0  0.75  1.0
  Ta  Ta2  1  0.0  0.0  0.41  1.0
  Zn  Zn3  1  0.0  0.0  0.08  1.0

data_NaTa2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.87
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   98.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTa2Zn
_chemical_formula_sum   'Na2 Ta4 Zn2'
_cell_volume   152.44
_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  0.25  1.0
  Ta  Ta2  2  0.0  0.0  0.59  1.0
  Zn  Zn3  2  0.0  0.0  0.92  1.0

Na Ta Ta Zn
Na Ta Ta Zn 0 3 o o o 0 1 o o - 1 1 o + - 1 1 + - o 1 1 + o - 2 2 o + - 2 2 + - o 2 2 + o - 
NaTa2Zn crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one Ta(1) and one Zn(1) atom. The Na(1)-Ta(1) bond length is 2.76 Å. The Na(1)-Zn(1) bond length is 0.83 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Na(1) and one Ta(2) atom. The Ta(1)-Ta(2) bond length is 3.68 Å. In the second Ta site, Ta(2) is bonded to one Ta(1), six equivalent Ta(2), and one Zn(1) atom to form a mixture of corner and edge-sharing TaTa7Zn hexagonal bipyramids. All Ta(2)-Ta(2) bond lengths are 2.87 Å. The Ta(2)-Zn(1) bond length is 3.58 Å. Zn(1) is bonded in a single-bond geometry to one Na(1) and one Ta(2) atom.