data_LiTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   146.77
_cell_angle_beta   127.53
_cell_angle_gamma   63.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcRu2
_chemical_formula_sum   'Li1 Tc1 Ru2'
_cell_volume   53.71
_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  0.0  0.0  0.25  1.0
  Ru  Ru1  1  0.0  0.21  0.17  1.0
  Ru  Ru2  1  0.43  0.0  0.08  1.0

data_LiTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.42
_cell_length_c   5.0
_cell_angle_alpha   116.23
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcRu2
_chemical_formula_sum   'Li1 Tc1 Ru2'
_cell_volume   53.71
_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  0.25  0.25  1.0
  Ru  Ru2  1  0.0  0.08  0.65  1.0
  Ru  Ru3  1  0.79  0.96  0.96  1.0

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