data_LiBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   143.3
_cell_angle_beta   126.87
_cell_angle_gamma   66.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiRu2
_chemical_formula_sum   'Li1 Bi1 Ru2'
_cell_volume   65.35
_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
  Bi  Bi0  1  0.0  0.0  0.33  1.0
  Ru  Ru2  1  0.0  0.31  0.17  1.0
  Ru  Ru3  1  0.63  0.0  0.17  1.0

data_LiBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.63
_cell_length_c   5.18
_cell_angle_alpha   116.56
_cell_angle_beta   108.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiRu2
_chemical_formula_sum   'Li1 Bi1 Ru2'
_cell_volume   65.35
_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
  Bi  Bi1  1  0.67  0.67  0.67  1.0
  Ru  Ru2  1  0.46  0.83  0.46  1.0
  Ru  Ru3  1  0.83  0.15  0.15  1.0

Li Bi Ru Ru