data_NaTcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcAu2
_chemical_formula_sum   'Na1 Tc1 Au2'
_cell_volume   70.4
_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  Na2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.45  0.0  0.0  1.0
  Au  Au0  1  0.73  0.13  0.37  1.0
  Au  Au1  1  0.73  0.87  0.37  1.0

data_NaTcAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   94.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcAu2
_chemical_formula_sum   'Na1 Tc1 Au2'
_cell_volume   70.4
_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
  Tc  Tc1  1  0.0  0.45  0.0  1.0
  Au  Au2  1  0.37  0.73  0.13  1.0
  Au  Au3  1  0.37  0.73  0.87  1.0

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