data_Li2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RuRh
_chemical_formula_sum   'Li2 Ru1 Rh1'
_cell_volume   56.86
_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  0.39  0.39  0.24  1.0
  Li  Li1  1  0.0  0.0  0.93  1.0
  Ru  Ru3  1  0.0  0.0  0.41  1.0
  Rh  Rh2  1  0.39  0.39  0.71  1.0

data_Li2RuRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2RuRh
_chemical_formula_sum   'Li4 Ru2 Rh2'
_cell_volume   113.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.93  1.0
  Li  Li1  2  0.39  0.0  0.24  1.0
  Ru  Ru2  2  0.0  0.0  0.41  1.0
  Rh  Rh3  2  0.39  0.0  0.71  1.0

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