data_LiYRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.21
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYRu2
_chemical_formula_sum   'Li1 Y1 Ru2'
_cell_volume   67.12
_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  0.33  0.0  0.15  1.0
  Y  Y3  1  0.71  0.1  0.76  1.0
  Ru  Ru1  1  0.21  0.1  0.12  1.0
  Ru  Ru2  1  1.0  0.0  0.01  1.0

data_LiYRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.21
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYRu2
_chemical_formula_sum   'Li1 Y1 Ru2'
_cell_volume   67.12
_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  0.33  0.0  0.15  1.0
  Y  Y1  1  0.71  0.1  0.76  1.0
  Ru  Ru2  1  0.21  0.1  0.12  1.0
  Ru  Ru3  1  1.0  0.0  0.01  1.0

Li Y Ru Ru