data_LiInRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   135.78
_cell_angle_beta   135.78
_cell_angle_gamma   64.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInRu2
_chemical_formula_sum   'Li1 In1 Ru2'
_cell_volume   61.68
_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  0.0  1.0
  In  In0  1  0.0  0.0  0.27  1.0
  Ru  Ru2  1  0.9  0.0  0.14  1.0
  Ru  Ru3  1  0.0  0.9  0.14  1.0

data_LiInRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   122.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiInRu2
_chemical_formula_sum   'Li2 In2 Ru4'
_cell_volume   123.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.27  1.0
  Ru  Ru2  4  0.05  0.05  0.24  1.0

Li In Ru Ru