data_Li2TcAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.89
_cell_angle_alpha   97.83
_cell_angle_beta   97.83
_cell_angle_gamma   30.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcAu
_chemical_formula_sum   'Li2 Tc1 Au1'
_cell_volume   61.66
_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
  Li  Li1  1  0.55  0.0  0.1  1.0
  Li  Li2  1  0.11  0.0  0.09  1.0
  Tc  Tc3  1  0.51  0.0  0.58  1.0
  Au  Au0  1  0.93  0.0  0.49  1.0

data_Li2TcAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.89
_cell_length_c   5.01
_cell_angle_alpha   97.83
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcAu
_chemical_formula_sum   'Li2 Tc1 Au1'
_cell_volume   61.66
_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
  Li  Li0  1  0.0  0.09  0.11  1.0
  Li  Li1  1  0.0  0.1  0.55  1.0
  Tc  Tc2  1  0.0  0.58  0.51  1.0
  Au  Au3  1  0.0  0.49  0.93  1.0

Li Li Tc Au
Li Li Tc Au 0 2 o o - 0 2 o o o 0 1 o o o 0 1 + o o 0 0 + - o 0 3 o o o 1 1 + - o 1 3 - o o 2 3 - o o 2 3 o o o 2 2 + - o 3 3 + - o 