data_LiGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   8.67
_cell_angle_alpha   18.47
_cell_angle_beta   18.47
_cell_angle_gamma   18.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaRu2
_chemical_formula_sum   'Li1 Ga1 Ru2'
_cell_volume   57.08
_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
  Ga  Ga0  1  0.0  0.0  0.77  1.0
  Ru  Ru2  1  0.0  0.0  0.29  1.0
  Ru  Ru3  1  0.0  0.0  0.26  1.0

data_LiGaRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   2.78
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiGaRu2
_chemical_formula_sum   'Li2 Ga2 Ru4'
_cell_volume   114.16
_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
  Ga  Ga1  2  0.0  0.0  0.23  1.0
  Ru  Ru2  2  0.0  0.0  0.71  1.0
  Ru  Ru3  2  0.0  0.0  0.74  1.0

Li Ga Ru Ru