data_LiFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   146.2
_cell_angle_beta   129.12
_cell_angle_gamma   62.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeRu2
_chemical_formula_sum   'Li1 Fe1 Ru2'
_cell_volume   48.61
_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  Li1  1  0.0  0.0  0.13  1.0
  Fe  Fe0  1  0.41  0.0  0.08  1.0
  Ru  Ru2  1  0.41  0.0  0.06  1.0
  Ru  Ru3  1  0.0  0.0  0.16  1.0

data_LiFeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.16
_cell_length_c   4.85
_cell_angle_alpha   115.44
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeRu2
_chemical_formula_sum   'Li1 Fe1 Ru2'
_cell_volume   48.61
_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  0.13  0.13  1.0
  Fe  Fe1  1  0.0  0.08  0.67  1.0
  Ru  Ru2  1  0.0  0.06  0.65  1.0
  Ru  Ru3  1  0.0  0.16  0.16  1.0

Li Fe Ru Ru
Li Fe Ru Ru 0 3 o o o 1 2 o o o 