data_LiSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   3.31
_cell_angle_alpha   90.86
_cell_angle_beta   90.86
_cell_angle_gamma   98.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2Ru
_chemical_formula_sum   'Li1 Sb2 Ru1'
_cell_volume   74.29
_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  0.0  1.0
  Sb  Sb2  1  0.51  0.19  0.65  1.0
  Sb  Sb3  1  0.51  0.81  0.65  1.0
  Ru  Ru1  1  0.1  0.0  0.0  1.0

data_LiSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   98.96
_cell_angle_beta   90.86
_cell_angle_gamma   90.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2Ru
_chemical_formula_sum   'Li1 Sb2 Ru1'
_cell_volume   74.29
_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  0.0  1.0
  Sb  Sb1  1  0.65  0.51  0.19  1.0
  Sb  Sb2  1  0.65  0.51  0.81  1.0
  Ru  Ru3  1  0.0  0.1  0.0  1.0

Li Sb Sb Ru
Li Sb Sb Ru 0 3 o o o 1 2 o - o 