data_LiTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   3.98
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   104.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcRu2
_chemical_formula_sum   'Li1 Tc1 Ru2'
_cell_volume   53.78
_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  Tc3  1  0.67  0.0  0.52  1.0
  Ru  Ru1  1  0.88  0.99  0.19  1.0
  Ru  Ru2  1  0.46  0.99  0.86  1.0

data_LiTcRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.68
_cell_length_b   3.98
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   104.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiTcRu2
_chemical_formula_sum   'Li1 Tc1 Ru2'
_cell_volume   53.78
_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  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.67  0.0  0.52  1.0
  Ru  Ru2  1  0.46  0.0  0.86  1.0
  Ru  Ru3  1  0.88  0.0  0.19  1.0

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