data_Li2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53
_cell_length_b   2.53
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcRu
_chemical_formula_sum   'Li2 Tc1 Ru1'
_cell_volume   55.89
_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  0.49  0.0  0.34  1.0
  Li  Li1  1  0.49  0.0  0.82  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.58  1.0

data_Li2TcRu
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.53
_cell_length_b   9.16
_cell_length_c   2.53
_cell_angle_alpha   90.0
_cell_angle_beta   107.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Li2TcRu
_chemical_formula_sum   'Li2 Tc1 Ru1'
_cell_volume   55.89
_cell_formula_units_Z   1
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  1  0.5  0.18  0.0  1.0
  Li  Li1  1  0.5  0.66  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.42  0.0  1.0

Li Li Tc Ru
Li Li Tc Ru 0 0 + + o 0 0 o + o 0 0 + o o 0 3 o o o 0 3 + o o 1 3 o o o 1 3 + o o 1 1 o + o 1 1 + o o 1 2 o o + 1 2 + o + 2 2 o + o 2 2 + o o 3 3 o + o 3 3 + o o 