data_LiTcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.41
_cell_angle_alpha   96.45
_cell_angle_beta   96.45
_cell_angle_gamma   32.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcAu2
_chemical_formula_sum   'Li1 Tc1 Au2'
_cell_volume   65.56
_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  0.0  1.0
  Tc  Tc3  1  0.23  0.0  0.69  1.0
  Au  Au0  1  0.69  0.0  0.33  1.0
  Au  Au1  1  0.76  0.0  0.05  1.0

data_LiTcAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.74
_cell_length_c   5.41
_cell_angle_alpha   96.45
_cell_angle_beta   90.0
_cell_angle_gamma   106.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcAu2
_chemical_formula_sum   'Li1 Tc1 Au2'
_cell_volume   65.56
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.77  0.31  1.0
  Au  Au2  1  0.0  0.24  0.95  1.0
  Au  Au3  1  0.0  0.31  0.67  1.0

Li Tc Au Au