data_LiFe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   3.66
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Ru
_chemical_formula_sum   'Li1 Fe2 Ru1'
_cell_volume   45.72
_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  Li2  1  0.0  0.0  0.4  1.0
  Fe  Fe0  1  0.0  0.0  0.03  1.0
  Fe  Fe1  1  0.28  0.83  0.26  1.0
  Ru  Ru3  1  0.28  0.83  0.65  1.0

data_LiFe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   3.66
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Ru
_chemical_formula_sum   'Li1 Fe2 Ru1'
_cell_volume   45.72
_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  0.4  1.0
  Fe  Fe1  1  0.0  0.0  0.03  1.0
  Fe  Fe2  1  0.28  0.83  0.26  1.0
  Ru  Ru3  1  0.28  0.83  0.65  1.0

Li Fe Fe Ru