data_ZnTcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcAu2
_chemical_formula_sum   'Zn1 Tc1 Au2'
_cell_volume   64.95
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.84  0.0  0.0  1.0
  Au  Au0  1  0.42  0.1  0.36  1.0
  Au  Au1  1  0.42  0.9  0.36  1.0

data_ZnTcAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   111.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcAu2
_chemical_formula_sum   'Zn1 Tc1 Au2'
_cell_volume   64.95
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.84  0.0  1.0
  Au  Au2  1  0.36  0.42  0.9  1.0
  Au  Au3  1  0.36  0.42  0.1  1.0

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