data_Li2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   4.19
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Tc
_chemical_formula_sum   'Li8 Tc4'
_cell_volume   173.53
_cell_formula_units_Z   4
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  0.08  0.05  0.94  1.0
  Li  Li1  1  0.0  0.14  0.78  1.0
  Li  Li2  1  0.38  0.05  0.91  1.0
  Li  Li3  1  0.31  0.14  0.75  1.0
  Li  Li4  1  0.62  0.05  0.05  1.0
  Li  Li5  1  0.08  0.14  0.21  1.0
  Li  Li6  1  0.31  0.05  0.48  1.0
  Li  Li7  1  0.77  0.14  0.64  1.0
  Tc  Tc8  1  0.34  0.05  0.12  1.0
  Tc  Tc9  1  0.74  0.14  0.27  1.0
  Tc  Tc10  1  0.65  0.05  0.42  1.0
  Tc  Tc11  1  0.05  0.14  0.57  1.0

data_Li2Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.19
_cell_length_b   5.39
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2Tc
_chemical_formula_sum   'Li8 Tc4'
_cell_volume   173.53
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.45  0.38  0.09  1.0
  Li  Li1  2  0.45  0.62  0.64  1.0
  Li  Li2  2  0.45  0.69  0.06  1.0
  Li  Li3  2  0.45  0.92  0.21  1.0
  Tc  Tc4  2  0.45  0.65  0.27  1.0
  Tc  Tc5  2  0.45  0.95  0.57  1.0

Li Li Li Li Li Li Li Li Tc Tc Tc Tc
Li Li Li Li Li Li Li Li Tc Tc Tc Tc 0 1 o o o 1 11 o o o 1 7 - o o 2 3 o o o 2 8 o o + 2 4 o o + 4 8 o o o 4 9 o o o 5 9 - o o 5 8 o o o 6 11 o o o 6 10 o o o 7 10 o o o 7 11 + o o 9 10 o o o 