data_NaTa2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.76
_cell_angle_alpha   93.98
_cell_angle_beta   93.98
_cell_angle_gamma   29.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2V
_chemical_formula_sum   'Na1 Ta2 V1'
_cell_volume   73.69
_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  0.3  0.0  0.59  1.0
  Ta  Ta2  1  0.07  0.0  0.16  1.0
  V  V3  1  0.68  0.0  0.87  1.0

data_NaTa2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.06
_cell_length_c   5.76
_cell_angle_alpha   93.98
_cell_angle_beta   90.0
_cell_angle_gamma   104.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2V
_chemical_formula_sum   'Na1 Ta2 V1'
_cell_volume   73.69
_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  0.7  0.41  1.0
  Ta  Ta2  1  0.0  0.93  0.84  1.0
  V  V3  1  0.0  0.32  0.13  1.0

Na Ta Ta V
NaTa2V crystallizes in the triclinic P1 space group. Na(1) is bonded in a 2-coordinate geometry to one Ta(1), one Ta(2), and one V(1) atom. The Na(1)-Ta(1) bond length is 2.91 Å. The Na(1)-Ta(2) bond length is 0.97 Å. The Na(1)-V(1) bond length is 1.71 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to one Na(1), one Ta(2), two equivalent Ta(1), and one V(1) atom. The Ta(1)-Ta(2) bond length is 2.64 Å. Both Ta(1)-Ta(1) bond lengths are 2.62 Å. The Ta(1)-V(1) bond length is 2.47 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Na(1) and one Ta(1) atom. V(1) is bonded in a distorted single-bond geometry to one Na(1) and one Ta(1) atom.