data_NaVTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.56
_cell_angle_alpha   99.2
_cell_angle_beta   99.2
_cell_angle_gamma   116.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVTc2
_chemical_formula_sum   'Na1 V1 Tc2'
_cell_volume   60.75
_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
  V  V3  1  0.76  0.0  0.0  1.0
  Tc  Tc1  1  0.99  0.25  0.22  1.0
  Tc  Tc2  1  0.99  0.75  0.22  1.0

data_NaVTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   116.98
_cell_angle_beta   99.2
_cell_angle_gamma   99.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVTc2
_chemical_formula_sum   'Na1 V1 Tc2'
_cell_volume   60.75
_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
  V  V1  1  0.0  0.76  0.0  1.0
  Tc  Tc2  1  0.22  0.99  0.75  1.0
  Tc  Tc3  1  0.22  0.99  0.25  1.0

Na V Tc Tc
Na V Tc Tc 0 2 - o o 0 1 - o o 0 3 - - o 1 2 o o o 