data_Na2TcAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   2.7
_cell_angle_alpha   102.04
_cell_angle_beta   102.04
_cell_angle_gamma   122.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcAu
_chemical_formula_sum   'Na2 Tc1 Au1'
_cell_volume   74.11
_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  Na1  1  0.87  0.37  0.22  1.0
  Na  Na2  1  0.87  0.63  0.22  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.9  0.0  0.0  1.0

data_Na2TcAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.24
_cell_length_c   6.0
_cell_angle_alpha   115.34
_cell_angle_beta   102.04
_cell_angle_gamma   92.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcAu
_chemical_formula_sum   'Na2 Tc1 Au1'
_cell_volume   74.11
_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  0.59  0.37  0.24  1.0
  Na  Na1  1  0.84  0.63  0.49  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.9  1.0

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