data_LiTcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   152.34
_cell_angle_beta   129.71
_cell_angle_gamma   58.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcAu2
_chemical_formula_sum   'Li1 Tc1 Au2'
_cell_volume   66.22
_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  Li2  1  0.0  0.0  0.93  1.0
  Tc  Tc3  1  0.0  0.43  0.54  1.0
  Au  Au0  1  0.0  0.0  0.94  1.0
  Au  Au1  1  0.37  0.0  0.55  1.0

data_LiTcAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.86
_cell_length_c   5.72
_cell_angle_alpha   115.15
_cell_angle_beta   103.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcAu2
_chemical_formula_sum   'Li1 Tc1 Au2'
_cell_volume   66.22
_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  0.07  0.07  0.07  1.0
  Tc  Tc1  1  0.46  0.89  0.89  1.0
  Au  Au2  1  0.06  0.06  0.06  1.0
  Au  Au3  1  0.82  0.45  0.82  1.0

Li Tc Au Au