data_NaSiTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSiTc2
_chemical_formula_sum   'Na1 Si1 Tc2'
_cell_volume   59.99
_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
  Si  Si1  1  0.72  0.0  0.0  1.0
  Tc  Tc2  1  0.36  0.85  0.28  1.0
  Tc  Tc3  1  0.36  0.15  0.28  1.0

data_NaSiTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   115.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSiTc2
_chemical_formula_sum   'Na1 Si1 Tc2'
_cell_volume   59.99
_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
  Si  Si1  1  -0.0  0.72  0.0  1.0
  Tc  Tc2  1  0.28  0.36  0.15  1.0
  Tc  Tc3  1  0.28  0.36  0.85  1.0

Na Si Tc Tc