data_LiReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   144.72
_cell_angle_beta   126.56
_cell_angle_gamma   65.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReRu
_chemical_formula_sum   'Li1 Re1 Ru1'
_cell_volume   40.53
_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  0.48  1.0
  Re  Re1  1  0.0  0.0  1.0  1.0
  Ru  Ru2  1  0.0  0.0  0.5  1.0

data_LiReRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.01
_cell_length_c   4.46
_cell_angle_alpha   116.72
_cell_angle_beta   107.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReRu
_chemical_formula_sum   'Li1 Re1 Ru1'
_cell_volume   40.53
_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  0.52  0.52  0.52  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.5  0.5  0.5  1.0

Li Re Ru
Li Re Ru 0 2 o o o 0 1 o o o 0 1 o o - 1 2 o o o 1 2 o o + 