data_Li2Ru2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   152.57
_cell_angle_beta   152.57
_cell_angle_gamma   39.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ru2Au
_chemical_formula_sum   'Li2 Ru2 Au1'
_cell_volume   80.39
_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  0.1  1.0
  Li  Li2  1  0.0  0.0  0.54  1.0
  Ru  Ru3  1  0.0  0.72  0.41  1.0
  Ru  Ru4  1  0.72  0.0  0.41  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Li2Ru2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   109.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2Ru2Au
_chemical_formula_sum   'Li4 Ru4 Au2'
_cell_volume   160.77
_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  0.46  1.0
  Li  Li1  2  0.0  0.0  0.9  1.0
  Ru  Ru2  4  0.36  0.64  0.31  1.0
  Au  Au3  2  0.0  0.0  0.0  1.0

Li Li Ru Ru Au