data_Li2YRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   145.69
_cell_angle_beta   134.13
_cell_angle_gamma   58.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YRu
_chemical_formula_sum   'Li2 Y1 Ru1'
_cell_volume   75.09
_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  0.23  0.21  1.0
  Li  Li1  1  0.69  0.0  0.78  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.99  1.0

data_Li2YRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.46
_cell_length_c   5.72
_cell_angle_alpha   112.93
_cell_angle_beta   107.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YRu
_chemical_formula_sum   'Li2 Y1 Ru1'
_cell_volume   75.09
_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  0.79  0.02  0.02  1.0
  Li  Li1  1  0.9  0.22  0.9  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.01  0.01  0.01  1.0

Li Li Y Ru