data_NaTiTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   2.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiTc
_chemical_formula_sum   'Na1 Ti1 Tc1'
_cell_volume   50.72
_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  0.48  1.0
  Ti  Ti2  1  0.0  0.8  0.79  1.0
  Tc  Tc1  1  0.42  0.4  0.71  1.0

data_NaTiTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiTc
_chemical_formula_sum   'Na1 Ti1 Tc1'
_cell_volume   50.72
_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  0.48  0.0  0.0  1.0
  Ti  Ti1  1  0.79  -0.0  0.8  1.0
  Tc  Tc2  1  0.71  0.42  0.4  1.0

Na Ti Tc
Na Ti Tc 0 1 o - o 0 2 o o o 0 2 o o - 1 2 o + o 1 2 - o o 2 2 o o + 