data_Li4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ru3
_chemical_formula_sum   'Li4 Ru3'
_cell_volume   106.69
_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  0.65  1.0
  Li  Li1  1  0.0  0.0  0.28  1.0
  Li  Li2  1  0.0  0.89  0.0  1.0
  Li  Li3  1  0.5  0.44  0.0  1.0
  Ru  Ru4  1  0.25  0.17  0.46  1.0
  Ru  Ru5  1  0.5  0.0  0.46  1.0
  Ru  Ru6  1  0.75  0.17  0.46  1.0

data_Li4Ru3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ru3
_chemical_formula_sum   'Li4 Ru3'
_cell_volume   106.69
_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  0.5  0.44  1.0
  Li  Li1  1  -0.0  0.0  0.89  1.0
  Li  Li2  1  0.28  0.0  0.0  1.0
  Li  Li3  1  0.65  0.0  0.0  1.0
  Ru  Ru4  1  0.46  0.25  0.17  1.0
  Ru  Ru5  1  0.46  0.5  0.0  1.0
  Ru  Ru6  1  0.46  0.75  0.17  1.0

Li Li Li Li Ru Ru Ru